Molecule

ID:11565

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂ClNO₂
Molecular Mass
307.81508
Exact Mass
307.13390663
Charge
0
InChI
InChI=1S/C17H21NO2.ClH/c1-19-16-9-8-14(12-17(16)20-2)10-11-18-13-15-6-4-3-5-7-15;/h3-9,12,18H,10-11,13H2,1-2H3;1H
InChIKey
RLGJZQQFEBNHQW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2ccccc2)ccc1OC.Cl
Isomeric Smiles
c1(c(ccc(c1)CCNCc1ccccc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.021345127
LogD (pH = 7.4)
0.85899913
Log P
3.2293863
Molar Refractivity
81.6
Polarizability
31.953072
Polar Surface Area
30.49
Rotatable Bonds
7
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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