Molecule

ID:56995

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-3-19-15(18)12-8-16-9(2)7-10-5-4-6-11(13(10)16)14(12)17/h4-6,8-9H,3,7H2,1-2H3
InChIKey
LHHGBHVKJXNSKV-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c3n1cc(C(=O)OCC)c(=O)c3ccc2
Isomeric Smiles
c1cc2c3c(c1)c(=O)c(cn3C(C2)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5656042
LogD (pH = 7.4)
2.5656042
Log P
2.5656042
Molar Refractivity
72.5739
Polarizability
27.083092
Polar Surface Area
46.61
Rotatable Bonds
3
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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