Molecule

ID:86191

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-4-12(5-2)9-13-8-6-7-10(3)11(13)14/h6-8H,4-5,9H2,1-3H3
InChIKey
CUNFEMMXBHONNM-UHFFFAOYSA-N
Canonic Smiles
CCN(Cn1cccc(c1=O)C)CC
Isomeric Smiles
n1(c(=O)c(ccc1)C)CN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.12443618
LogD (pH = 7.4)
1.3029385
Log P
1.4784498
Molar Refractivity
59.6249
Polarizability
22.516163
Polar Surface Area
23.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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