Molecule

ID:55525

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClN
Molecular Mass
169.65128
Exact Mass
169.06582707
Charge
0
InChI
InChI=1S/C9H11N.ClH/c10-8-4-7-9-5-2-1-3-6-9;/h1-7H,8,10H2;1H/b7-4+;
InChIKey
RHJVYCBQGSIGEG-KQGICBIGSA-N
Canonic Smiles
NC/C=C/c1ccccc1.Cl
Isomeric Smiles
C(=C\CN)/c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2791467
LogD (pH = 7.4)
-0.34138015
Log P
1.7089299
Molar Refractivity
44.85
Polarizability
17.299046
Polar Surface Area
26.02
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