Molecule

ID:121705

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10(2)8-15-13-6-4-3-5-11(13)7-12(9-16)14(15)17/h3-7,9-10H,8H2,1-2H3
InChIKey
YNUXUYBQJKXQHM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2ccccc2n(c1=O)CC(C)C
Isomeric Smiles
n1(c(=O)c(cc2c1cccc2)C=O)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1341383
LogD (pH = 7.4)
2.1341383
Log P
2.1341383
Molar Refractivity
67.2882
Polarizability
25.427172
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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