Molecule

ID:10916

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-8(17)9-5-6-13-12(7-9)10-3-2-4-11(10)14(16-13)15(18)19/h2-3,5-7,10-11,14,16H,4H2,1H3,(H,18,19)
InChIKey
MAHHEUJIITYGOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Nc2ccc(cc2C2C1CC=C2)C(=O)C
Isomeric Smiles
N1C(C2C(c3c1ccc(c3)C(=O)C)C=CC2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.957946
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.10180595
LogD (pH = 7.4)
-1.733052
Log P
1.4489813
Molar Refractivity
73.3307
Polarizability
26.911673
Polar Surface Area
66.4
Rotatable Bonds
2
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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