Molecule

ID:12966

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₃
Molecular Mass
243.25792
Exact Mass
243.08954328
Charge
0
InChI
InChI=1S/C14H13NO3/c1-9-5-11(7-16)10(2)15(9)12-3-4-13-14(6-12)18-8-17-13/h3-7H,8H2,1-2H3
InChIKey
QPFVKFZJNJFLCL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C
Isomeric Smiles
c1(cc2c(cc1)OCO2)n1c(cc(c1C)C=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9506
LogD (pH = 7.4)
1.9506
Log P
1.9506
Molar Refractivity
78.4607
Polarizability
26.193502
Polar Surface Area
40.46
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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