Molecule

ID:72447

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₂
Molecular Mass
250.68094
Exact Mass
250.05090528
Charge
0
InChI
InChI=1S/C12H11ClN2O2/c1-8-7-10(15-17-8)14-12(16)11(13)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,14,15,16)
InChIKey
WIROTDJNVBQVLU-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)Cl)Nc1noc(c1)C
Isomeric Smiles
c1(noc(c1)C)NC(=O)C(c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
10.951033
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.843292
LogD (pH = 7.4)
2.8431776
Log P
2.8432937
Molar Refractivity
66.9373
Polarizability
24.4224
Polar Surface Area
55.13
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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