Molecule

ID:80867

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅Cl₂NO₂
Molecular Mass
324.2018
Exact Mass
323.04798409
Charge
0
InChI
InChI=1S/C16H15Cl2NO2/c17-15(18)14-12-6-2-1-4-10(12)8-13(14)16(20)19-9-11-5-3-7-21-11/h1-7,13-15H,8-9H2,(H,19,20)
InChIKey
FTFGGNSYSXCJMV-UHFFFAOYSA-N
Canonic Smiles
O=C(C1Cc2c(C1C(Cl)Cl)cccc2)NCc1ccco1
Isomeric Smiles
N(C(=O)C1C(c2c(cccc2)C1)C(Cl)Cl)Cc1ccco1
Calculated Properties
JChem
Acid pKa
11.753765
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2423644
LogD (pH = 7.4)
3.2423477
Log P
3.2423646
Molar Refractivity
83.4621
Polarizability
32.00422
Polar Surface Area
42.24
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