Molecule

ID:84540

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₃N₂O
Molecular Mass
301.55578
Exact Mass
299.96239589
Charge
0
InChI
InChI=1S/C12H7Cl3N2O/c13-7-1-2-11(10(15)5-7)17-12(18)8-6-16-4-3-9(8)14/h1-6H,(H,17,18)
InChIKey
CVNJMJNZTNXERU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NC(=O)c1cnccc1Cl
Isomeric Smiles
N(c1ccc(cc1Cl)Cl)C(=O)c1cnccc1Cl
Calculated Properties
JChem
Acid pKa
9.463526
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6588304
LogD (pH = 7.4)
3.656034
Log P
3.6595922
Molar Refractivity
73.849
Polarizability
27.775562
Polar Surface Area
41.99
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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