Molecule
ID:123898
General Information
Molecular Formula
C₁₁H₁₀Cl₂N₂O
Molecular Mass
257.1159
Exact Mass
256.01701831
Charge
0
InChI
InChI=1S/C11H10Cl2N2O/c12-10-11(13)15(7-14-10)6-9(16)8-4-2-1-3-5-8/h1-5,7,9,16H,6H2
InChIKey
LKULNVAWIODSNL-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)CC(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.011936
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3143075
LogD (pH = 7.4)
2.3158474
Log P
2.3158672
Molar Refractivity
65.1566
Polarizability
24.876123
Polar Surface Area
38.05
Rotatable Bonds
3
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
No Data Available
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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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