Molecule

ID:134530

General Information
Structure
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Molecular Formula
C₁₆H₃₁NO
Molecular Mass
253.42344
Exact Mass
253.24056462
Charge
0
InChI
InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18/h2-15H2,1H3
InChIKey
HULTVDSPXGVYBQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCN=C=O
Isomeric Smiles
CCCCCCCCCCCCCCCN=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.171535
LogD (pH = 7.4)
6.171535
Log P
6.171535
Molar Refractivity
77.8228
Polarizability
30.70395
Polar Surface Area
29.43
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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