Molecule

ID:13035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-11-8-5-7(10(13)14)3-4-9(8)12(6)2/h3-5H,1-2H3,(H,13,14)
InChIKey
YEOZQWRDUXNFTF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(n2C)C
Isomeric Smiles
c1(cc2c(cc1)n(c(n2)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.330111
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4004827
LogD (pH = 7.4)
-1.2919085
Log P
-0.35348782
Molar Refractivity
51.5621
Polarizability
20.492016
Polar Surface Area
55.12
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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