Molecule

ID:14101

General Information
Structure
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c1-3-11-10-13(15(17)18)16(4-2)14(11)12-8-6-5-7-9-12/h4-10H,2-3H2,1H3,(H,17,18)
InChIKey
FLAXOPKZWSUVJN-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(n(c1c1ccccc1)C=C)C(=O)O
Isomeric Smiles
c1(n(c(cc1CC)C(=O)O)C=C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.5777035
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9674214
LogD (pH = 7.4)
0.5335902
Log P
3.884281
Molar Refractivity
71.1953
Polarizability
28.456015
Polar Surface Area
42.23
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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