Molecule

ID:23339

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂N₂O
Molecular Mass
281.1373
Exact Mass
280.01701831
Charge
0
InChI
InChI=1S/C13H10Cl2N2O/c14-9-5-10(15)7-12(6-9)17-13(18)8-2-1-3-11(16)4-8/h1-7H,16H2,(H,17,18)
InChIKey
HBCOHEVMVROZHW-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)Nc1cc(Cl)cc(c1)Cl
Isomeric Smiles
C(=O)(Nc1cc(cc(c1)Cl)Cl)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
10.704798
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4435468
LogD (pH = 7.4)
3.44408
Log P
3.444294
Molar Refractivity
75.9015
Polarizability
27.838829
Polar Surface Area
55.12
Rotatable Bonds
2
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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