Molecule

ID:109566

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
InChIKey
OAERLTPBKQBWHJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)N(C)C
Isomeric Smiles
CCCCCC(=O)N(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4513055
LogD (pH = 7.4)
1.4513056
Log P
1.4513056
Molar Refractivity
42.6892
Polarizability
16.67138
Polar Surface Area
20.31
Rotatable Bonds
4
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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