Molecule

ID:84158

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClN
Molecular Mass
267.75276
Exact Mass
267.08147713
Charge
0
InChI
InChI=1S/C17H14ClN/c1-11-4-3-5-13(8-11)15-10-14-9-12(2)6-7-16(14)19-17(15)18/h3-10H,1-2H3
InChIKey
TWMRQGFTLKJUPO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1cc2cc(C)ccc2nc1Cl
Isomeric Smiles
n1c(c(cc2cc(ccc12)C)c1cc(ccc1)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.629187
LogD (pH = 7.4)
5.6291904
Log P
5.6291904
Molar Refractivity
81.064
Polarizability
33.509525
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
false
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