Molecule

ID:14415

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO₂
Molecular Mass
313.86272
Exact Mass
313.18085682
Charge
0
InChI
InChI=1S/C17H27NO2.ClH/c1-13(2)20-16-7-5-14(6-8-16)12-18-15-9-10-19-17(3,4)11-15;/h5-8,13,15,18H,9-12H2,1-4H3;1H
InChIKey
GQDBMGMEOMGKEE-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)CNC1CCOC(C1)(C)C)C.Cl
Isomeric Smiles
c1(CNC2CC(OCC2)(C)C)ccc(cc1)OC(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.39926365
LogD (pH = 7.4)
0.4698669
Log P
2.805644
Molar Refractivity
82.4691
Polarizability
32.75982
Polar Surface Area
30.49
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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