Molecule

ID:16795

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c13-10-4-2-6-12(10)8-9-3-1-5-11-7-9/h9,11H,1-8H2
InChIKey
PNQLQOFVZKTDSF-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1CC1CCCNC1
Isomeric Smiles
N1(C(=O)CCC1)CC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4379094
LogD (pH = 7.4)
-2.892974
Log P
-0.21001756
Molar Refractivity
52.0302
Polarizability
20.424976
Polar Surface Area
32.34
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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