Molecule

ID:80984

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₃N₂O
Molecular Mass
265.52368
Exact Mass
263.96239589
Charge
0
InChI
InChI=1S/C9H7Cl3N2O/c10-7(11)8(12)14-9(15)13-6-4-2-1-3-5-6/h1-5H,(H2,13,14,15)
InChIKey
GKIQMCQAZMFGNC-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1)NC(=C(Cl)Cl)Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.733729
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.1715004
LogD (pH = 7.4)
3.1714828
Log P
3.1715007
Molar Refractivity
83.4364
Polarizability
23.616991
Polar Surface Area
41.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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