Molecule

ID:77526

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClN₂
Molecular Mass
216.66626
Exact Mass
216.04542598
Charge
0
InChI
InChI=1S/C12H9ClN2/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2
InChIKey
AWCLLRQTVFHVBY-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc2c(c1)CCc1c2cccc1
Isomeric Smiles
n1nc(cc2c1c1c(cccc1)CC2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1962152
LogD (pH = 7.4)
3.1962178
Log P
3.1962178
Molar Refractivity
62.6749
Polarizability
24.244743
Polar Surface Area
25.78
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