Molecule

ID:75558

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3
InChIKey
AOZNIFQUCUSYLD-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)C(C)C
Isomeric Smiles
n1c(nc(cc1)C(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3331776
LogD (pH = 7.4)
2.333178
Log P
2.333178
Molar Refractivity
42.0138
Polarizability
15.990474
Polar Surface Area
25.78
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