Molecule

ID:24646

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c13-10(14)5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4-5H2,(H,13,14)
InChIKey
WUAVUQJOFIIVHX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1nc2n(c1)cccc2
Isomeric Smiles
n12c(nc(c1)CCC(=O)O)cccc2
Calculated Properties
JChem
Acid pKa
4.1762366
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.93857396
LogD (pH = 7.4)
-1.9901816
Log P
-0.88710356
Molar Refractivity
51.4212
Polarizability
19.338305
Polar Surface Area
54.6
Rotatable Bonds
3
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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