Molecule

ID:34142

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-7(11)10-6-8-3-2-4-9-5-8/h8-9H,2-6H2,1H3,(H,10,11)
InChIKey
TXZBOHMPGYOABD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCC1CCCNC1
Isomeric Smiles
C1CNCC(C1)CNC(=O)C
Calculated Properties
JChem
Acid pKa
16.322943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8886008
LogD (pH = 7.4)
-3.3439367
Log P
-0.6606966
Molar Refractivity
44.2382
Polarizability
17.470844
Polar Surface Area
41.13
Rotatable Bonds
2
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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