Molecule

ID:47276

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-4-17(2,3)15-5-7-16(8-6-15)19-13-14-9-11-18-12-10-14;/h5-8,14,18H,4,9-13H2,1-3H3;1H
InChIKey
BXTUAZSDQYSVEX-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC1CCNCC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CCNCC2)cc1)(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.67813754
LogD (pH = 7.4)
1.1389084
Log P
3.9095585
Molar Refractivity
80.7625
Polarizability
32.01912
Polar Surface Area
21.26
Rotatable Bonds
5
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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