Molecule

ID:72432

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NO
Molecular Mass
280.14924
Exact Mass
279.02176934
Charge
0
InChI
InChI=1S/C14H11Cl2NO/c15-11-6-8-12(9-7-11)17-14(18)13(16)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)
InChIKey
RNDDHXNXUQNPBC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)Cl)Nc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Nc1ccc(Cl)cc1)C(c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
13.110797
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.288774
LogD (pH = 7.4)
4.288773
Log P
4.288774
Molar Refractivity
74.8369
Polarizability
28.488775
Polar Surface Area
29.1
Rotatable Bonds
3
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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