Molecule

ID:16605

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-18-15-11-13(12-17)5-6-14(15)19-10-9-16-7-3-2-4-8-16/h5-6,11-12H,2-4,7-10H2,1H3
InChIKey
PIBMWNAENSUGHB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCCN1CCCCC1
Isomeric Smiles
c1(c(cc(cc1)C=O)OC)OCCN1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.10284925
LogD (pH = 7.4)
1.7942519
Log P
2.2394164
Molar Refractivity
75.7295
Polarizability
29.104227
Polar Surface Area
38.77
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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