Molecule

ID:15623

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)
InChIKey
MAHAMBLNIDMREX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(n1C)cccc2
Isomeric Smiles
c1ccc2c(c1)n(c(c2)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.3870225
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22671048
LogD (pH = 7.4)
-1.5328915
Log P
1.8732679
Molar Refractivity
49.1749
Polarizability
19.6268
Polar Surface Area
42.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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