Molecule

ID:112575

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-2-9(1)3-4-10-5-7-11-8-6-10/h1-8H2
InChIKey
OORHATOVZQVMRT-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CCN1CC1
Isomeric Smiles
C1CN(CCO1)CCN1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.1393204
LogD (pH = 7.4)
-0.5159617
Log P
-0.18121141
Molar Refractivity
45.1127
Polarizability
17.75141
Polar Surface Area
15.48
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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