Molecule

ID:51257

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-6-3-7(10(12)13-2)9-8(4-6)11-5-14-9/h3-5H,1-2H3
InChIKey
IQAHCUKIMJCPFW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C)cc2c1ocn2
Isomeric Smiles
c1(c2c(nco2)cc(c1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8367634
LogD (pH = 7.4)
1.8367637
Log P
1.8367637
Molar Refractivity
49.7896
Polarizability
20.018963
Polar Surface Area
52.33
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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