Molecule

ID:12748

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6(12)10-9(11)7-4-2-3-5-8(7)13-10/h2-5H,11H2,1H3
InChIKey
NNQBNOWMBVHDMH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
C(=O)(C)c1oc2c(c1N)cccc2
Calculated Properties
JChem
Acid pKa
14.834546
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4310919
LogD (pH = 7.4)
1.4310919
Log P
1.4310919
Molar Refractivity
49.8798
Polarizability
19.587591
Polar Surface Area
56.23
Rotatable Bonds
1
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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