Molecule

ID:91679

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₂
Molecular Mass
227.25852
Exact Mass
227.09462866
Charge
0
InChI
InChI=1S/C14H13NO2/c1-17-14(16)11-6-4-5-10(9-11)12-7-2-3-8-13(12)15/h2-9H,15H2,1H3
InChIKey
NCMXOIMDAQPPLW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1ccccc1N
Isomeric Smiles
Nc1c(cccc1)c1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7872336
LogD (pH = 7.4)
2.7949233
Log P
2.7950222
Molar Refractivity
67.9199
Polarizability
26.86768
Polar Surface Area
52.32
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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