Molecule

ID:75219

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-3-10-6-4-5-7(10)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKey
QNDRLFKYRMOWNS-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1C(=O)NC
Isomeric Smiles
N1(CC)CCCC1C(=O)NC
Calculated Properties
JChem
Acid pKa
16.091625
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8464062
LogD (pH = 7.4)
-1.1020362
Log P
0.059447937
Molar Refractivity
44.8265
Polarizability
17.470844
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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