
structural formula
| business number | 03ag |
|---|---|
| molecular formula | c16h13no4s |
| molecular weight | 315.34 |
| label |
aromatic compounds |
numbering system
cas number:119-19-7
mdl number:mfcd00021509
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1, moore refractive index: 84.54
2, molar volume (m3/mol) :210.7
3、 isotonic specific volume (90.2k) :620.7
4, surface tension (dyne/cm):75.1
5、 polarizability (10-24cm3):33.51
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 95
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 469
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
olor: #304e00; font-family: arial; mso-font-kerning: 0pt”>33.51
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 95
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 469
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet

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