Molecule

ID:79120

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClNO₂S
Molecular Mass
289.73682
Exact Mass
288.99642718
Charge
0
InChI
InChI=1S/C14H8ClNO2S/c15-13-10(5-3-7-16-13)18-14(17)12-8-9-4-1-2-6-11(9)19-12/h1-8H
InChIKey
MJUROXWMOSFAGX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc2c(s1)cccc2)Oc1cccnc1Cl
Isomeric Smiles
s1c(cc2c1cccc2)C(=O)Oc1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.249693
LogD (pH = 7.4)
4.249695
Log P
4.249695
Molar Refractivity
74.6943
Polarizability
29.726877
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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