Molecule
ID:58465
General Information
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-10-7-11(15)13-9(12-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
InChIKey
GOLXNPRSAZFLNL-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)nc(n1)Cc1ccccc1
Isomeric Smiles
c1c(nc(nc1O)Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
12.451115
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.054689
LogD (pH = 7.4)
3.0546854
Log P
3.0546892
Molar Refractivity
56.6574
Polarizability
21.112337
Polar Surface Area
66.24
Rotatable Bonds
2
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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