Molecule

ID:59403

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-4-3-5-7-8(11-14)10(13)12(2)9(6)7/h3-5,14H,1-2H3/b11-8-
InChIKey
VKMGQUIACZECDJ-FLIBITNWSA-N
Canonic Smiles
O/N=C/1\C(=O)N(c2c1cccc2C)C
Isomeric Smiles
C\1(=N/O)/C(=O)N(c2c1cccc2C)C
Calculated Properties
JChem
Acid pKa
6.286323
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2730197
LogD (pH = 7.4)
0.21572171
Log P
1.3385108
Molar Refractivity
52.4538
Polarizability
19.49881
Polar Surface Area
52.9
Rotatable Bonds
0
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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