Molecule

ID:41753

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₂
Molecular Mass
228.24658
Exact Mass
228.08987763
Charge
0
InChI
InChI=1S/C13H12N2O2/c1-17-13(16)10-4-2-9(3-5-10)12-7-6-11(14)8-15-12/h2-8H,14H2,1H3
InChIKey
CUVFODCVMGKLTH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc(cn1)N
Isomeric Smiles
n1c(c2ccc(C(=O)OC)cc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9140223
LogD (pH = 7.4)
1.9625422
Log P
1.9632001
Molar Refractivity
65.391
Polarizability
25.944143
Polar Surface Area
65.21
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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