Molecule

ID:56076

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-7-5-8(10(13)12-11-7)6-9-3-2-4-14-9/h2-5H,6H2,1H3,(H,12,13)
InChIKey
PCFNDVMRLHAESI-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(=O)c(c1)Cc1ccco1
Isomeric Smiles
c1(n[nH]c(=O)c(c1)Cc1ccco1)C
Calculated Properties
JChem
Acid pKa
10.607315
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.58136165
LogD (pH = 7.4)
0.58112603
Log P
0.5813647
Molar Refractivity
52.0354
Polarizability
19.228643
Polar Surface Area
54.6
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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