Molecule

ID:128405

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)
InChIKey
GJNNXIYZWIZFRH-UHFFFAOYSA-N
Canonic Smiles
CCCCCNCC(=O)N
Isomeric Smiles
CCCCCNCC(=O)N
Calculated Properties
JChem
Acid pKa
16.788275
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8158672
LogD (pH = 7.4)
-1.3852911
Log P
0.24662991
Molar Refractivity
41.0748
Polarizability
16.35698
Polar Surface Area
55.12
Rotatable Bonds
6
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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