Molecule

ID:55600

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNS
Molecular Mass
191.72146
Exact Mass
191.05354813
Charge
0
InChI
InChI=1S/C8H13NS.ClH/c1-6-4-5-8(10-6)7(2)9-3;/h4-5,7,9H,1-3H3;1H
InChIKey
HVVFWGFFUWAALO-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc(s1)C)C.Cl
Isomeric Smiles
s1c(ccc1C)C(NC)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6506157
LogD (pH = 7.4)
0.51766205
Log P
2.5069118
Molar Refractivity
45.671
Polarizability
17.788221
Polar Surface Area
12.03
Rotatable Bonds
2
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