Molecule

ID:60684

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₂
Molecular Mass
217.2637
Exact Mass
217.11027873
Charge
0
InChI
InChI=1S/C13H15NO2/c1-9(2)7-8-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6,9H,7-8H2,1-2H3
InChIKey
IXZVZVSXNXWRBG-UHFFFAOYSA-N
Canonic Smiles
CC(CCN1c2ccccc2C(=O)C1=O)C
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)CCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4265277
LogD (pH = 7.4)
2.4265277
Log P
2.4265277
Molar Refractivity
62.0131
Polarizability
23.730286
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
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Molecule Details
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References
Bioactivity
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