Molecule

ID:17469

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h8-9,12H,2-7H2,1H3
InChIKey
QVZRIYOVGFHMGY-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2(N1C1CCCCC1N2)C
Isomeric Smiles
C12(N(C3C(N1)CCCC3)C(=O)CC2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9227296
LogD (pH = 7.4)
-0.24331695
Log P
0.86784667
Molar Refractivity
53.8632
Polarizability
21.538864
Polar Surface Area
32.34
Rotatable Bonds
0
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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