Molecule

ID:30734

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
PKGDMHCUUNZVGS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c[nH]nc1c1ccc(cc1)C
Isomeric Smiles
c1(c(n[nH]c1)c1ccc(cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.385028
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.36408064
LogD (pH = 7.4)
-0.9290611
Log P
2.4815097
Molar Refractivity
56.807
Polarizability
22.178974
Polar Surface Area
65.98
Rotatable Bonds
2
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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