Molecule

ID:86298

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNS
Molecular Mass
201.71628
Exact Mass
201.03789807
Charge
0
InChI
InChI=1S/C9H12ClNS/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4H,5-7,11H2
InChIKey
CEOBXCFVZOZDFM-UHFFFAOYSA-N
Canonic Smiles
NCCSCc1ccccc1Cl
Isomeric Smiles
Clc1ccccc1CSCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.613429
LogD (pH = 7.4)
0.15592328
Log P
2.3916502
Molar Refractivity
56.5113
Polarizability
22.303896
Polar Surface Area
26.02
Rotatable Bonds
4
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