Molecule

ID:116977

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-6(2)10-5-7(4-9)3-8(10)11/h6-7H,3-5,9H2,1-2H3
InChIKey
VLIAZARVPPDEJV-UHFFFAOYSA-N
Canonic Smiles
NCC1CN(C(=O)C1)C(C)C
Isomeric Smiles
N1(C(=O)CC(C1)CN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7280986
LogD (pH = 7.4)
-3.0037644
Log P
-0.7195811
Molar Refractivity
44.281
Polarizability
17.470844
Polar Surface Area
46.33
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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