Molecule
ID:35238
General Information
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-10-13(11(2)17)8-14(16(10)9-15(18)19)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKey
PVLWJYNJIAWGLX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(cc(c1C)C(=O)C)c1ccccc1
Isomeric Smiles
n1(c(cc(c1C)C(=O)C)c1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.250902
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.80858994
LogD (pH = 7.4)
-0.9189601
Log P
2.0792246
Molar Refractivity
72.3643
Polarizability
28.666407
Polar Surface Area
59.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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