Molecule

ID:53270

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClN
Molecular Mass
217.69408
Exact Mass
217.06582707
Charge
0
InChI
InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
InChIKey
XAFODXGEQUOEKN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccccc1)N
Isomeric Smiles
NC(c1ccc(cc1)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.58269167
LogD (pH = 7.4)
1.8964057
Log P
3.4872992
Molar Refractivity
63.619
Polarizability
25.16743
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