Molecule

ID:21129

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂ClNO
Molecular Mass
291.81568
Exact Mass
291.13899201
Charge
0
InChI
InChI=1S/C17H21NO.ClH/c1-2-6-15-13-17(9-8-14(15)5-1)19-12-10-16-7-3-4-11-18-16;/h1-2,5-6,8-9,13,16,18H,3-4,7,10-12H2;1H
InChIKey
HORWFSYGDXHXSI-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
N1C(CCOc2cc3c(cc2)cccc3)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18520612
LogD (pH = 7.4)
0.77810866
Log P
3.4107409
Molar Refractivity
78.3734
Polarizability
32.307655
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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