Molecule

ID:40629

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₃S
Molecular Mass
283.7307
Exact Mass
283.00699187
Charge
0
InChI
InChI=1S/C12H10ClNO3S/c1-16-11-4-8(6-15)2-3-10(11)17-7-9-5-14-12(13)18-9/h2-6H,7H2,1H3
InChIKey
HUAKKYPJMHVFOH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCc1cnc(s1)Cl
Isomeric Smiles
c1(ncc(s1)COc1c(cc(C=O)cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.800123
LogD (pH = 7.4)
2.8001254
Log P
2.8001254
Molar Refractivity
70.1994
Polarizability
26.713219
Polar Surface Area
48.42
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