Molecule

ID:42332

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂NO
Molecular Mass
194.05846
Exact Mass
193.00611927
Charge
0
InChI
InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKey
GZKKABCYIDGALV-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccccc1Cl.Cl
Isomeric Smiles
c1(c(Cl)cccc1)CON.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9540058
LogD (pH = 7.4)
1.9658293
Log P
1.9659821
Molar Refractivity
41.7484
Polarizability
16.254404
Polar Surface Area
35.25
Rotatable Bonds
2
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