Molecule

ID:129594

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)
InChIKey
BXOCHUWSGYYSFW-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C=C/CC/C=C/C(=O)NCC(C)C
Isomeric Smiles
O=C(/C=C/CC/C=C/C=C/C)NCC(C)C
Calculated Properties
JChem
Acid pKa
16.319712
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.523883
LogD (pH = 7.4)
3.5241838
Log P
3.5241876
Molar Refractivity
73.2672
Polarizability
27.028818
Polar Surface Area
29.1
Rotatable Bonds
7
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
References
Bioactivity
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