Molecule
ID:102034
General Information
Molecular Formula
C₁₃H₁₀Cl₂N₂O
Molecular Mass
281.1373
Exact Mass
280.01701831
Charge
0
InChI
InChI=1S/C13H10Cl2N2O/c1-7-3-5-9(14)16-11(7)13(18)12-8(2)4-6-10(15)17-12/h3-6H,1-2H3
InChIKey
UCGLQPWLJVQQFV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nc(Cl)ccc1C)c1nc(Cl)ccc1C
Isomeric Smiles
c1c(nc(c(c1)C)C(=O)c1nc(ccc1C)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.444241
LogD (pH = 7.4)
4.444241
Log P
4.444241
Molar Refractivity
73.3903
Polarizability
27.6106
Polar Surface Area
42.85
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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