Molecule

ID:15741

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9/h9,11H,1-8H2
InChIKey
AMOUVOLDCHVMBJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)C1CCCNC1
Isomeric Smiles
C(=O)(N1CCCC1)C1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1036494
LogD (pH = 7.4)
-2.0852177
Log P
0.08234662
Molar Refractivity
52.0779
Polarizability
20.424976
Polar Surface Area
32.34
Rotatable Bonds
1
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
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References
Bioactivity
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