Molecule

ID:60781

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-12-9(13)7-5-3-4-6-8(7)11-10(12)14/h3-6H,2H2,1H3,(H,11,14)
InChIKey
LPMHWRUMVIPIGW-UHFFFAOYSA-N
Canonic Smiles
CCn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)CC
Calculated Properties
JChem
Acid pKa
11.430324
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.977431
LogD (pH = 7.4)
1.9773932
Log P
1.9774317
Molar Refractivity
53.4214
Polarizability
19.175823
Polar Surface Area
49.41
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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