Molecule

ID:60387

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO
Molecular Mass
176.00012
Exact Mass
174.95916908
Charge
0
InChI
InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H
InChIKey
RXTRRIFWCJEMEL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccnc1Cl
Isomeric Smiles
c1(C(=O)Cl)c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7707069
LogD (pH = 7.4)
1.7707077
Log P
1.7707078
Molar Refractivity
40.8819
Polarizability
15.246618
Polar Surface Area
29.96
Rotatable Bonds
1
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
References
Bioactivity
Navigation