Molecule

ID:77964

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₂
Molecular Mass
228.24658
Exact Mass
228.08987763
Charge
0
InChI
InChI=1S/C13H12N2O2/c14-12-7-6-11(8-15-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15)
InChIKey
WZFRFMFRNZBTPU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)C(=O)OCc1ccccc1
Isomeric Smiles
n1c(ccc(c1)C(=O)OCc1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1551645
LogD (pH = 7.4)
2.247727
Log P
2.2490551
Molar Refractivity
65.5529
Polarizability
24.57917
Polar Surface Area
65.21
Rotatable Bonds
4
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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