Molecule

ID:67769

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-7(11)10-5-3-8(9-2)4-6-10/h8-9H,3-6H2,1-2H3
InChIKey
RSEPODZAQBVPOS-UHFFFAOYSA-N
Canonic Smiles
CNC1CCN(CC1)C(=O)C
Isomeric Smiles
N1(CCC(CC1)NC)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.171317
LogD (pH = 7.4)
-3.7299774
Log P
-0.939178
Molar Refractivity
44.4157
Polarizability
17.470844
Polar Surface Area
32.34
Rotatable Bonds
1
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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