Molecule

ID:60735

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-8-5-10-9(2)7-15(3,4)16-12(10)11(6-8)13(17)19-14(16)18/h5-7H,1-4H3
InChIKey
WKBCUFYIGUUJDT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2C(=CC(n3c2c(c1)c(=O)oc3=O)(C)C)C
Isomeric Smiles
c1(=O)n2c3c(c(=O)o1)cc(cc3C(=CC2(C)C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2112849
LogD (pH = 7.4)
3.2112849
Log P
3.2112849
Molar Refractivity
72.1956
Polarizability
27.133808
Polar Surface Area
46.61
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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