Molecule

ID:24419

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c9-8(11)5-6-10-7-3-1-2-4-7/h7,10H,1-6H2,(H2,9,11)
InChIKey
PPINGHWYXMRULB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNC1CCCC1
Isomeric Smiles
C(=O)(CCNC1CCCC1)N
Calculated Properties
JChem
Acid pKa
16.828318
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1484685
LogD (pH = 7.4)
-2.4365916
Log P
0.06987683
Molar Refractivity
43.7128
Polarizability
17.470844
Polar Surface Area
55.12
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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