Molecule

ID:60682

General Information
Structure
Molecular Formula
C₁₃H₁₅NO₂
Molecular Mass
217.2637
Exact Mass
217.11027873
Charge
0
InChI
InChI=1S/C13H15NO2/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(15)13(14)16/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey
UGVPQGQPUANQSX-UHFFFAOYSA-N
Canonic Smiles
CCCCCN1c2ccccc2C(=O)C1=O
Isomeric Smiles
C1(=O)N(c2c(C1=O)cccc2)CCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5840774
LogD (pH = 7.4)
2.5840774
Log P
2.5840774
Molar Refractivity
62.0655
Polarizability
23.730286
Polar Surface Area
37.38
Rotatable Bonds
4
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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