Molecule

ID:35015

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O
Molecular Mass
212.33176
Exact Mass
212.1888634
Charge
0
InChI
InChI=1S/C12H24N2O/c1-10(2)4-7-13-12-5-8-14(9-6-12)11(3)15/h10,12-13H,4-9H2,1-3H3
InChIKey
PVPQEZCKPMDKCA-UHFFFAOYSA-N
Canonic Smiles
CC(CCNC1CCN(CC1)C(=O)C)C
Isomeric Smiles
N1(C(=O)C)CCC(CC1)NCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.564741
LogD (pH = 7.4)
-2.2650611
Log P
0.6717401
Molar Refractivity
62.8379
Polarizability
24.838331
Polar Surface Area
32.34
Rotatable Bonds
4
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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