Molecule

ID:80302

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(2)10(6-7-11)5-4-9(3)12/h10H,1,4-6H2,2-3H3
InChIKey
DTWKKDUYCIPQFZ-UHFFFAOYSA-N
Canonic Smiles
N#CCC(C(=C)C)CCC(=O)C
Isomeric Smiles
N#CCC(C(=C)C)CCC(=O)C
Calculated Properties
JChem
Acid pKa
19.531696
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5491898
LogD (pH = 7.4)
1.5491898
Log P
1.5491898
Molar Refractivity
48.7451
Polarizability
18.82018
Polar Surface Area
40.86
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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