Molecule
ID:75116
General Information
Molecular Formula
C₇H₄ClNOS
Molecular Mass
185.63076
Exact Mass
184.97021243
Charge
0
InChI
InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
NOVHYVKPKWACML-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)[nH]c(=O)s2
Isomeric Smiles
O=c1sc2ccc(cc2[nH]1)Cl
Calculated Properties
JChem
Acid pKa
11.131123
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.593558
LogD (pH = 7.4)
2.5934825
Log P
2.593559
Molar Refractivity
47.5123
Polarizability
17.61348
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...