Molecule

ID:13269

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₃
Molecular Mass
251.32144
Exact Mass
251.15214354
Charge
0
InChI
InChI=1S/C14H21NO3/c1-16-13-7-3-5-11(14(13)17-2)9-15-10-12-6-4-8-18-12/h3,5,7,12,15H,4,6,8-10H2,1-2H3
InChIKey
KRKRFPVLDYQKIR-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCC2CCCO2)cccc1OC
Isomeric Smiles
c1cc(c(c(c1)CNCC1CCCO1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2316386
LogD (pH = 7.4)
0.40908268
Log P
1.6348411
Molar Refractivity
70.4871
Polarizability
27.898972
Polar Surface Area
39.72
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
No Data Available
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Molecule Details
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References
Bioactivity
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