Molecule
ID:27142
General Information
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h7H,1-6,9H2,(H,10,11)
InChIKey
JFBXNQGAIGCUKF-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CC1CCCCC1
Isomeric Smiles
C(=O)(NN)CC1CCCCC1
Calculated Properties
JChem
Acid pKa
13.359422
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.97278893
LogD (pH = 7.4)
0.97530705
Log P
0.97533965
Molar Refractivity
44.7273
Polarizability
17.371826
Polar Surface Area
55.12
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
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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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