Molecule

ID:34258

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-2-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
InChIKey
ARECLULLLYMJKA-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N1CCC(CC1)N
Isomeric Smiles
N1(C(=O)CC)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6890495
LogD (pH = 7.4)
-3.1201158
Log P
-0.67122257
Molar Refractivity
44.268
Polarizability
17.470844
Polar Surface Area
46.33
Rotatable Bonds
1
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
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References
Bioactivity
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