Molecule

ID:12706

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNS
Molecular Mass
199.7004
Exact Mass
199.02224801
Charge
0
InChI
InChI=1S/C9H10ClNS/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9,11H,5-6H2
InChIKey
KRHLVQZFBQEBFU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1NCCS1
Isomeric Smiles
C1NC(SC1)c1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9882924
LogD (pH = 7.4)
2.4780552
Log P
2.6943228
Molar Refractivity
54.2463
Polarizability
21.579218
Polar Surface Area
12.03
Rotatable Bonds
1
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