Molecule

ID:24481

General Information
Structure
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-3-6-9-7-5-8(11)10-4-2/h3,9H,1,4-7H2,2H3,(H,10,11)
InChIKey
LMSKVYLYLIBHJU-UHFFFAOYSA-N
Canonic Smiles
C=CCNCCC(=O)NCC
Isomeric Smiles
C(=O)(CCNCC=C)NCC
Calculated Properties
JChem
Acid pKa
16.422419
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0363245
LogD (pH = 7.4)
-1.6070886
Log P
0.026908804
Molar Refractivity
46.1076
Polarizability
17.957357
Polar Surface Area
41.13
Rotatable Bonds
6
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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