Molecule

ID:117232

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKey
MRGARODDQXEDJP-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)c2c(n1)ccc(c2)C(=O)O
Isomeric Smiles
c12c(nc(cc2N)C)ccc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.764607
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9401151
LogD (pH = 7.4)
-0.95949227
Log P
-0.9441736
Molar Refractivity
56.5274
Polarizability
22.160032
Polar Surface Area
76.21
Rotatable Bonds
1
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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