Molecule

ID:37487

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClNS
Molecular Mass
149.64172
Exact Mass
149.00659794
Charge
0
InChI
InChI=1S/C5H7NS.ClH/c1-4-2-3-5(6)7-4;/h2-3H,6H2,1H3;1H
InChIKey
LILOTHBDLYJRIX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)N.Cl
Isomeric Smiles
s1c(ccc1C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.736618
LogD (pH = 7.4)
1.7366186
Log P
1.7366186
Molar Refractivity
32.0804
Polarizability
11.873584
Polar Surface Area
26.02
Rotatable Bonds
0
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