Molecule

ID:68815

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
InChIKey
QVWGKOYVOZJNRJ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(CN(C)C)C
Isomeric Smiles
C(C(C(=O)CC)C)N(C)C
Calculated Properties
JChem
Acid pKa
18.748022
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6034173
LogD (pH = 7.4)
0.07496882
Log P
1.4783132
Molar Refractivity
43.5246
Polarizability
17.06628
Polar Surface Area
20.31
Rotatable Bonds
4
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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