Molecule

ID:14256

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNO
Molecular Mass
233.69348
Exact Mass
233.06074169
Charge
0
InChI
InChI=1S/C13H12ClNO/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8H,9,15H2
InChIKey
JBTSPGBABBKQJZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCc1ccccc1Cl
Isomeric Smiles
c1(COc2ccc(cc2)N)c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2367811
LogD (pH = 7.4)
3.314085
Log P
3.3151665
Molar Refractivity
66.639
Polarizability
25.44037
Polar Surface Area
35.25
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