Molecule

ID:18333

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-8-3-4-9(11(14)15)7-10(8)13-6-2-5-12-13/h2-7H,1H3,(H,14,15)
InChIKey
BKLMCUHVMWSUCR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1n1cccn1)C(=O)O
Isomeric Smiles
n1(c2cc(C(=O)O)ccc2C)nccc1
Calculated Properties
JChem
Acid pKa
4.1459455
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.858741
LogD (pH = 7.4)
-0.84031945
Log P
2.2300687
Molar Refractivity
56.7171
Polarizability
21.492651
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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