Molecule

ID:88018

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKey
BDKHWMQAUGGNAQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(c1)nc(c2C(=O)O)C
Isomeric Smiles
n1c2cc(ccn2c(c1C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
2.5568702
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0000383
LogD (pH = 7.4)
-2.3400416
Log P
-0.5176257
Molar Refractivity
52.7028
Polarizability
19.176008
Polar Surface Area
54.6
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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