Molecule

ID:117097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-4-2-3-5-7(6)8-9(13)12-10(14)11-8/h2-5,8H,1H3,(H2,11,12,13,14)
InChIKey
RBRCHMYEBAVDIS-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(N1)c1ccccc1C
Isomeric Smiles
N1C(=O)C(NC1=O)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
9.576765
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.99959433
LogD (pH = 7.4)
0.99678206
Log P
0.99963033
Molar Refractivity
50.4452
Polarizability
19.321138
Polar Surface Area
58.2
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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