Molecule

ID:55910

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c12-13-10(14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2,(H,13,14)
InChIKey
FJXQVRADKYKERU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(C(=O)NN)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
Acid pKa
13.050891
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2738806
LogD (pH = 7.4)
1.2763258
Log P
1.276358
Molar Refractivity
54.6946
Polarizability
21.439808
Polar Surface Area
55.12
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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