Molecule

ID:29024

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂
Molecular Mass
271.35414
Exact Mass
271.15722892
Charge
0
InChI
InChI=1S/C17H21NO2/c1-3-11-20-16-9-7-14(8-10-16)13-18-15-5-4-6-17(12-15)19-2/h4-10,12,18H,3,11,13H2,1-2H3
InChIKey
JDBQBEPKJQQHRH-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)CNc1cccc(c1)OC
Isomeric Smiles
N(c1cc(OC)ccc1)Cc1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7303977
LogD (pH = 7.4)
3.7344332
Log P
3.734485
Molar Refractivity
83.0634
Polarizability
31.634775
Polar Surface Area
30.49
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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