Molecule

ID:13539

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₃
Molecular Mass
275.34284
Exact Mass
275.15214354
Charge
0
InChI
InChI=1S/C16H21NO3/c1-12-4-6-14(20-12)11-17-9-8-13-5-7-15(18-2)16(10-13)19-3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKey
WUBZVWLDMUDMRL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2ccc(o2)C)ccc1OC
Isomeric Smiles
c1c(c(cc(c1)CCNCc1oc(cc1)C)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.388679
LogD (pH = 7.4)
1.2448763
Log P
2.4891944
Molar Refractivity
79.1406
Polarizability
30.556755
Polar Surface Area
43.63
Rotatable Bonds
7
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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