Molecule

ID:80301

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)17/h13-14H,1,5-8,10H2,2-4H3
InChIKey
RVBKTOCMDDHDAM-UHFFFAOYSA-N
Canonic Smiles
N#CCCC(=C)C1CC(C1CCC(=O)C)(C)C
Isomeric Smiles
N#CCCC(=C)C1C(CCC(=O)C)C(C1)(C)C
Calculated Properties
JChem
Acid pKa
19.639662
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8486865
LogD (pH = 7.4)
2.8486865
Log P
2.8486865
Molar Refractivity
69.7172
Polarizability
27.30605
Polar Surface Area
40.86
Rotatable Bonds
6
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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