Molecule

ID:15130

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChIKey
UIDHNPTVQFNWOJ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c12c(nc(cc1C(=O)O)C)cccc2
Calculated Properties
JChem
Acid pKa
3.739337
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.004592798
LogD (pH = 7.4)
-1.4326859
Log P
1.5988971
Molar Refractivity
51.827
Polarizability
21.040194
Polar Surface Area
50.19
Rotatable Bonds
1
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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