Molecule

ID:39918

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10-8-9-11(2)15(10)13-7-5-4-6-12(13)14(16)17-3/h4-9H,1-3H3
InChIKey
XWUUKZWECVYABW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1n1c(C)ccc1C
Isomeric Smiles
n1(c2c(C(=O)OC)cccc2)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7384
LogD (pH = 7.4)
2.7384
Log P
2.7384
Molar Refractivity
78.1351
Polarizability
26.269499
Polar Surface Area
31.23
Rotatable Bonds
2
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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