Molecule

ID:10842

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14)
InChIKey
KWLUWAKLSFDQNN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1ncc2c1cccc2
Isomeric Smiles
n1n(c2c(c1)cccc2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.3364854
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.05585349
LogD (pH = 7.4)
-1.8014201
Log P
1.1349798
Molar Refractivity
62.0731
Polarizability
20.66912
Polar Surface Area
55.12
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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