Molecule

ID:29487

General Information
Structure
Molecular Formula
C₁₇H₂₁NO₂
Molecular Mass
271.35414
Exact Mass
271.15722892
Charge
0
InChI
InChI=1S/C17H21NO2/c1-3-19-16-10-8-14(9-11-16)13-18-15-6-5-7-17(12-15)20-4-2/h5-12,18H,3-4,13H2,1-2H3
InChIKey
VOCLXULNHYMEEQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNc1cccc(c1)OCC
Isomeric Smiles
N(c1cc(OCC)ccc1)Cc1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5647297
LogD (pH = 7.4)
3.5687194
Log P
3.5687704
Molar Refractivity
83.288
Polarizability
31.634624
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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