Molecule

ID:89275

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂NO
Molecular Mass
178.016
Exact Mass
176.97481915
Charge
0
InChI
InChI=1S/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
KGEXISHTCZHGFT-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(c(c1)Cl)O
Isomeric Smiles
Oc1c(cc(cc1Cl)N)Cl
Calculated Properties
JChem
Acid pKa
7.379893
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.032028
LogD (pH = 7.4)
1.7383798
Log P
2.0488439
Molar Refractivity
42.3489
Polarizability
15.943083
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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