Molecule

ID:14665

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-7(9)8(11)10-5-3-2-4-6-10/h7H,2-6,9H2,1H3
InChIKey
WHBVSWNJAJECCU-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCCCC1)N
Isomeric Smiles
N1(C(=O)C(C)N)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7380726
LogD (pH = 7.4)
-1.1085067
Log P
-0.087935664
Molar Refractivity
44.2549
Polarizability
17.470844
Polar Surface Area
46.33
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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