Molecule
ID:34133
General Information
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3,(H,10,11)
InChIKey
CFRYMBOECAAAQY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCC1CCNCC1
Isomeric Smiles
C1NCCC(C1)CNC(=O)C
Calculated Properties
JChem
Acid pKa
16.324738
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.9235194
LogD (pH = 7.4)
-3.255869
Log P
-0.70225334
Molar Refractivity
44.337
Polarizability
17.470844
Polar Surface Area
41.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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