Molecule

ID:55748

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNS
Molecular Mass
175.679
Exact Mass
175.02224801
Charge
0
InChI
InChI=1S/C7H9NS.ClH/c8-7(2-3-7)6-1-4-9-5-6;/h1,4-5H,2-3,8H2;1H
InChIKey
VIQLEKLDKDIRDR-UHFFFAOYSA-N
Canonic Smiles
NC1(CC1)c1cscc1.Cl
Isomeric Smiles
C1C(C1)(c1cscc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6858476
LogD (pH = 7.4)
-0.5465981
Log P
1.2687894
Molar Refractivity
38.738
Polarizability
15.292497
Polar Surface Area
26.02
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