Molecule
ID:89084
General Information
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h7-10H,1-6H2
InChIKey
JJTNUGQHEZWBTO-UHFFFAOYSA-N
Canonic Smiles
C1CNC(CN1)C1CCCO1
Isomeric Smiles
N1CCNCC1C1CCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.485906
LogD (pH = 7.4)
-2.12573
Log P
-0.25045073
Molar Refractivity
43.3737
Polarizability
17.75141
Polar Surface Area
33.29
Rotatable Bonds
1
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
No Data Available
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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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