Molecule

ID:14116

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
InChIKey
JCKJXCLFXLNOFD-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1ccc(n1C=C)C(=O)O
Isomeric Smiles
c1(n(c(cc1)C(=O)O)C=C)c1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
3.5810587
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9706562
LogD (pH = 7.4)
0.5347251
Log P
3.884281
Molar Refractivity
71.1953
Polarizability
28.45749
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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