Molecule

ID:52179

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-2-3-7-12-19-17-11-10-15(13-16(17)18)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12,18H2,1H3
InChIKey
AMXKEKVPPZQNHN-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1N)c1ccccc1
Isomeric Smiles
Nc1c(ccc(c1)c1ccccc1)OCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3794827
LogD (pH = 7.4)
4.402046
Log P
4.402342
Molar Refractivity
80.8324
Polarizability
32.414524
Polar Surface Area
35.25
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
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Molecule Details
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References
Bioactivity
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