Molecule

ID:106742

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O₂
Molecular Mass
156.18238
Exact Mass
156.08987763
Charge
0
InChI
InChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)
InChIKey
QCUPYFTWJOZAOB-UHFFFAOYSA-N
Canonic Smiles
CC/C(=C\C)/C(=O)NC(=O)N
Isomeric Smiles
CC/C(=C\C)/C(=O)NC(=O)N
Calculated Properties
JChem
Acid pKa
11.848627
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6078214
LogD (pH = 7.4)
0.6078063
Log P
0.6078216
Molar Refractivity
41.9878
Polarizability
15.832322
Polar Surface Area
72.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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