Molecule

ID:83247

General Information
Structure
Molecular Formula
C₁₅H₁₂ClNO₂
Molecular Mass
273.71428
Exact Mass
273.05565631
Charge
0
InChI
InChI=1S/C15H12ClNO2/c1-18-14-7-4-8-15(12(14)9-17)19-10-11-5-2-3-6-13(11)16/h2-8H,10H2,1H3
InChIKey
GCIORKDTAMLZOY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1OC)OCc1ccccc1Cl
Isomeric Smiles
N#Cc1c(cccc1OCc1ccccc1Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8425174
LogD (pH = 7.4)
3.8425174
Log P
3.8425174
Molar Refractivity
74.1234
Polarizability
28.656364
Polar Surface Area
42.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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