Molecule

ID:23323

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂N₂O
Molecular Mass
281.1373
Exact Mass
280.01701831
Charge
0
InChI
InChI=1S/C13H10Cl2N2O/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18)
InChIKey
LPNBIVMNNQDVJP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NC(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)Cl)Cl)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
10.477526
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4435444
LogD (pH = 7.4)
3.4439397
Log P
3.444294
Molar Refractivity
75.9015
Polarizability
27.846594
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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