Molecule

ID:10233

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3
InChIKey
KWLJTPCIXGQHSB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(CC1)NC1CC1
Isomeric Smiles
N1(C(=O)C)CCC(NC2CC2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6985598
LogD (pH = 7.4)
-3.0944963
Log P
-0.47361347
Molar Refractivity
51.6269
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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