Molecule

ID:82282

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₂
Molecular Mass
261.35932
Exact Mass
261.17287898
Charge
0
InChI
InChI=1S/C16H23NO2/c1-3-5-11-17(12-6-4-2)15-13-9-7-8-10-14(13)16(18)19-15/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
AWRPIBMTXCXNRN-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C1OC(=O)c2c1cccc2)CCCC
Isomeric Smiles
O1C(c2c(cccc2)C1=O)N(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
15.506624
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.512863
LogD (pH = 7.4)
4.520177
Log P
4.520271
Molar Refractivity
77.1418
Polarizability
30.274143
Polar Surface Area
29.54
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
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References
Bioactivity
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