Molecule

ID:83592

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NO
Molecular Mass
304.17064
Exact Mass
303.02176934
Charge
0
InChI
InChI=1S/C16H11Cl2NO/c1-20-11-7-8-12-13(9-11)19-16(18)14(15(12)17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
CFBPNDXUUDXHPZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nc(c(c2Cl)c1ccccc1)Cl
Isomeric Smiles
n1c(c(c(c2ccc(cc12)OC)Cl)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0487204
LogD (pH = 7.4)
5.0487213
Log P
5.0487213
Molar Refractivity
82.2496
Polarizability
34.24954
Polar Surface Area
22.12
Rotatable Bonds
2
Lipinski's Rule of Five
false
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