Molecule

ID:44224

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₃S
Molecular Mass
273.30704
Exact Mass
273.04596422
Charge
0
InChI
InChI=1S/C14H11NO3S/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
COWMUQNZNYZPLS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1SCc1ccccc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(c(c1)C=O)SCc1ccccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8746448
LogD (pH = 7.4)
3.8746448
Log P
3.8746448
Molar Refractivity
77.3874
Polarizability
28.564243
Polar Surface Area
62.89
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation