Molecule

ID:76395

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-9-2-4-10(5-3-9)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKey
JVTYKOFIZWQPAR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ccc(n1)c1ccc(cc1)C
Isomeric Smiles
n1c(c2ccc(cc2)C)ccn1CC(=O)O
Calculated Properties
JChem
Acid pKa
3.988798
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.89927316
LogD (pH = 7.4)
-0.74334234
Log P
2.4255862
Molar Refractivity
70.8514
Polarizability
24.036882
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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