Molecule

ID:25414

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c1-9-6-10(2)16-12(7-9)13(17(19)20)8-14(18-16)15-5-4-11(3)21-15/h4-8H,1-3H3,(H,19,20)
InChIKey
ALYQOWNALMYHCS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1cc(C(=O)O)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1oc(cc1)C)C(=O)O)cc(cc2C)C
Calculated Properties
JChem
Acid pKa
3.58428
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1974628
LogD (pH = 7.4)
0.75966936
Log P
4.1082096
Molar Refractivity
79.6227
Polarizability
32.41147
Polar Surface Area
63.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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