Molecule
ID:51018
General Information
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c11-7-6-9-8(10-7)4-2-1-3-5-8/h9H,1-6H2,(H,10,11)
InChIKey
FLZYHGIIDJMSJQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC2(N1)CCCCC2
Isomeric Smiles
N1C2(NCC1=O)CCCCC2
Calculated Properties
JChem
Acid pKa
11.774575
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.008244781
LogD (pH = 7.4)
0.3654476
Log P
0.37259892
Molar Refractivity
41.9379
Polarizability
16.74643
Polar Surface Area
41.13
Rotatable Bonds
0
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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