Molecule

ID:65247

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16(17)19/h1,7-8,10-11H,3-6,9,12H2
InChIKey
XQFWQWUIBPUXLG-UHFFFAOYSA-N
Canonic Smiles
C#CCCCCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)N(C2=O)CCCCCCC#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.212118
LogD (pH = 7.4)
3.212118
Log P
3.212118
Molar Refractivity
74.9507
Polarizability
27.759634
Polar Surface Area
37.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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