Molecule

ID:27117

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c11-12-10(13)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)
InChIKey
LVPLGMIOSVEITG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC1c1ccccc1
Isomeric Smiles
C1(C(C1)c1ccccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.977352
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8713461
LogD (pH = 7.4)
0.8738225
Log P
0.8738553
Molar Refractivity
50.9928
Polarizability
19.597387
Polar Surface Area
55.12
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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