Molecule

ID:72322

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂S
Molecular Mass
204.72022
Exact Mass
204.04879711
Charge
0
InChI
InChI=1S/C8H12N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-5,9H2;1H
InChIKey
FSKAGYIRPNZFDI-UHFFFAOYSA-N
Canonic Smiles
NCc1nc2c(s1)CCCC2.Cl
Isomeric Smiles
C1CCc2c(C1)nc(s2)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1766919
LogD (pH = 7.4)
0.5108177
Log P
1.2895831
Molar Refractivity
46.0633
Polarizability
17.945114
Polar Surface Area
38.91
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