Molecule

ID:43577

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO
Molecular Mass
176.00012
Exact Mass
174.95916908
Charge
0
InChI
InChI=1S/C6H3Cl2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H
InChIKey
BSNLYVFMZPQWAJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1Cl)Cl
Isomeric Smiles
c1(c(c(C=O)ccn1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8963423
LogD (pH = 7.4)
1.8963423
Log P
1.8963423
Molar Refractivity
41.156
Polarizability
15.301037
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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