Molecule

ID:116053

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3
InChIKey
KLSDFCJMDZZDKK-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCNC1)N(C)C
Isomeric Smiles
C(=O)(C1CNCCC1)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5094488
LogD (pH = 7.4)
-2.4910288
Log P
-0.32345086
Molar Refractivity
44.5369
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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