Molecule

ID:73643

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-19-15(18)14-9-13(16-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,16,17)
InChIKey
XRFYDQJKMQDIDD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1n[nH]c(c1)c1cccc2c1cccc2
Isomeric Smiles
n1c(cc(c2c3c(ccc2)cccc3)[nH]1)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.490225
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.223021
LogD (pH = 7.4)
3.1903996
Log P
3.2234604
Molar Refractivity
72.8626
Polarizability
30.085241
Polar Surface Area
54.98
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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