Molecule

ID:27126

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c12-13-11(15)9-6-5-7-3-1-2-4-8(7)10(9)14/h1-6,14H,12H2,(H,13,15)
InChIKey
VNMGHGFBIFFSSU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc2c(c1O)cccc2
Isomeric Smiles
c1(c(c2c(cc1)cccc2)O)C(=O)NN
Calculated Properties
JChem
Acid pKa
7.7259774
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.8603871
LogD (pH = 7.4)
1.6969624
Log P
1.8633219
Molar Refractivity
58.0516
Polarizability
22.70031
Polar Surface Area
75.35
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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