Molecule

ID:28170

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
InChIKey
XLEOCTUCGZANAC-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC(=O)C)CC
Isomeric Smiles
C(C(=O)C)CN(CC)CC
Calculated Properties
JChem
Acid pKa
18.328915
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.293743
LogD (pH = 7.4)
-0.74291676
Log P
0.94840693
Molar Refractivity
43.8204
Polarizability
17.06628
Polar Surface Area
20.31
Rotatable Bonds
5
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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