Molecule

ID:59168

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-12-8-6-4-3-5-7(8)9(11-14)10(12)13/h3-6,14H,2H2,1H3/b11-9-
InChIKey
OPUVNDVXNQKCMG-LUAWRHEFSA-N
Canonic Smiles
CCN1c2ccccc2/C(=N/O)/C1=O
Isomeric Smiles
C\1(=N/O)/C(=O)N(c2c1cccc2)CC
Calculated Properties
JChem
Acid pKa
6.181315
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1001024
LogD (pH = 7.4)
-0.033073727
Log P
1.1818974
Molar Refractivity
52.1612
Polarizability
19.573124
Polar Surface Area
52.9
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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