Molecule
ID:117673
General Information
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c15-9-5-6-13-11(7-9)10-3-1-2-4-12(10)16(13)8-14(17)18/h1-7H,8,15H2,(H,17,18)
InChIKey
KYOFKSKTUDFVRE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c2ccccc2c2c1ccc(c2)N
Isomeric Smiles
n1(c2c(c3c1cccc3)cc(cc2)N)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.6490293
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.9641834
LogD (pH = 7.4)
-0.7988909
Log P
1.7298458
Molar Refractivity
69.1539
Polarizability
28.400986
Polar Surface Area
68.25
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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