Molecule

ID:28717

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂
Molecular Mass
271.35414
Exact Mass
271.15722892
Charge
0
InChI
InChI=1S/C17H21NO2/c1-13(2)20-16-9-6-8-15(11-16)18-12-14-7-4-5-10-17(14)19-3/h4-11,13,18H,12H2,1-3H3
InChIKey
FBEZCAOVNHLTNO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNc1cccc(c1)OC(C)C
Isomeric Smiles
c1(CNc2cc(OC(C)C)ccc2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.625309
LogD (pH = 7.4)
3.6284966
Log P
3.6285374
Molar Refractivity
82.9582
Polarizability
31.63487
Polar Surface Area
30.49
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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