Molecule

ID:89644

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-13-6-5-10(12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
NQPMBEUYTBLTAG-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)c1cccc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cc(ccc1)c1nn(cc1)C
Calculated Properties
JChem
Acid pKa
3.954197
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.53380144
LogD (pH = 7.4)
-1.0954468
Log P
2.0917645
Molar Refractivity
66.9818
Polarizability
22.165363
Polar Surface Area
55.12
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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