Molecule

ID:29401

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClN
Molecular Mass
231.72066
Exact Mass
231.08147713
Charge
0
InChI
InChI=1S/C14H14ClN/c1-11-3-2-4-12(9-11)10-16-14-7-5-13(15)6-8-14/h2-9,16H,10H2,1H3
InChIKey
OVKUNKLMLXLBBJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NCc1cccc(c1)C
Isomeric Smiles
N(c1ccc(Cl)cc1)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.282749
LogD (pH = 7.4)
4.287897
Log P
4.287963
Molar Refractivity
70.7104
Polarizability
26.530237
Polar Surface Area
12.03
Rotatable Bonds
3
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