Molecule
ID:122343
General Information
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-3-10-6-11-4-9(2,8(10)13)5-12-7-10/h11-12H,3-7H2,1-2H3
InChIKey
AEMWWKOGIPYPAJ-UHFFFAOYSA-N
Canonic Smiles
CCC12CNCC(C2=O)(CNC1)C
Isomeric Smiles
C1(=O)C2(CNCC1(CNC2)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.8146648
LogD (pH = 7.4)
-1.763661
Log P
0.71538806
Molar Refractivity
51.641
Polarizability
20.815495
Polar Surface Area
41.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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