Molecule

ID:16896

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)12-13-10(7)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
SGRSFFPRUYGFGN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]nc(c1C)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)c(c([nH]n1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.3487008
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.2594675
LogD (pH = 7.4)
-1.015124
Log P
2.401511
Molar Refractivity
56.6845
Polarizability
22.182003
Polar Surface Area
65.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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