Molecule
ID:12794
General Information
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-6-7(2)13-10-5-8(11(14)15)3-4-9(10)12-6/h3-5H,1-2H3,(H,14,15)
InChIKey
RCACNAWRFYUKLC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(c(n2)C)C
Isomeric Smiles
n1c2c(nc(c1C)C)ccc(C(=O)O)c2
Calculated Properties
JChem
Acid pKa
3.9732537
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.64820397
LogD (pH = 7.4)
-2.113357
Log P
1.2194016
Molar Refractivity
53.8896
Polarizability
21.905111
Polar Surface Area
63.08
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
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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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