Molecule

ID:75270

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKey
HRVPYGLZESQRKK-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2nc(O)c(nc2cc1C)O
Isomeric Smiles
n1c(c(nc2cc(c(cc12)C)C)O)O
Calculated Properties
JChem
Acid pKa
11.545329
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9077044
LogD (pH = 7.4)
2.9076748
Log P
2.9077055
Molar Refractivity
52.1216
Polarizability
20.79203
Polar Surface Area
66.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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