Molecule

ID:21145

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-2-8-16-15(6-1)7-3-9-17(16)19-12-10-14-5-4-11-18-13-14/h1-3,6-9,14,18H,4-5,10-13H2
InChIKey
XDZAFYJOKHSMME-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOc1cccc2c1cccc2
Isomeric Smiles
c12c(OCCC3CNCCC3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.11965675
LogD (pH = 7.4)
0.49570683
Log P
3.3539789
Molar Refractivity
78.5468
Polarizability
32.31165
Polar Surface Area
21.26
Rotatable Bonds
4
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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