Molecule

ID:356

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₂
Molecular Mass
261.35932
Exact Mass
261.17287898
Charge
0
InChI
InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
InChIKey
DKLKMKYDWHYZTD-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1ccccc1)CNC1CCCCC1
Isomeric Smiles
O(C(CNC1CCCCC1)C)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6174143
LogD (pH = 7.4)
1.425658
Log P
3.8281648
Molar Refractivity
76.2407
Polarizability
30.28334
Polar Surface Area
38.33
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.04
LOG S
-4.43
Solubility (Water)
9.71e-03 g/l
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
No Data Available
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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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