Molecule

ID:124090

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-9-11(12(15)16)7-13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKey
LKXGSWZWOBKKRP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn(c1C)Cc1ccccc1
Isomeric Smiles
c1(c(n(nc1)Cc1ccccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2736309
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.25278738
LogD (pH = 7.4)
-1.4545478
Log P
1.9827232
Molar Refractivity
71.9799
Polarizability
22.5937
Polar Surface Area
55.12
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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