Molecule

ID:122596

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-10-2-7-14-13(8-10)17-15(18-14)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3
InChIKey
HNAMVKUEIKNELN-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1nc2c(o1)ccc(c2)C
Isomeric Smiles
n1c(oc2c1cc(cc2)C)c1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.010599431
LogD (pH = 7.4)
1.0518123
Log P
2.9838254
Molar Refractivity
81.3393
Polarizability
29.321604
Polar Surface Area
52.05
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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