Molecule

ID:86196

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂
Molecular Mass
271.35414
Exact Mass
271.15722892
Charge
0
InChI
InChI=1S/C17H21NO2/c1-13-10-15(6-9-17(13)20-3)12-18-11-14-4-7-16(19-2)8-5-14/h4-10,18H,11-12H2,1-3H3
InChIKey
HQXUKCGZLSWJJH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccc(c(c1)C)OC
Isomeric Smiles
N(Cc1cc(c(cc1)OC)C)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.41199923
LogD (pH = 7.4)
1.8770951
Log P
3.4541466
Molar Refractivity
81.8862
Polarizability
31.94925
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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