Molecule

ID:82983

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClN₂O
Molecular Mass
272.72952
Exact Mass
272.07164073
Charge
0
InChI
InChI=1S/C15H13ClN2O/c16-14-13(6-3-7-17-14)15(19)18-12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19)
InChIKey
VJWGFYRZOMFYFT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)NC1Cc2c(C1)cccc2
Isomeric Smiles
N(C1Cc2c(cccc2)C1)C(=O)c1cccnc1Cl
Calculated Properties
JChem
Acid pKa
12.7340355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7669
LogD (pH = 7.4)
2.7668996
Log P
2.7669015
Molar Refractivity
76.0897
Polarizability
28.597614
Polar Surface Area
41.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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