Molecule
ID:33171
General Information
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c13-10(9-3-1-4-9)12-7-2-5-11-6-8-12/h9,11H,1-8H2
InChIKey
CAICECVBKBZCGO-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)N1CCNCCC1
Isomeric Smiles
C(=O)(N1CCCNCC1)C1CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7137282
LogD (pH = 7.4)
-1.081026
Log P
0.16546007
Molar Refractivity
51.8803
Polarizability
20.424976
Polar Surface Area
32.34
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
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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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