Molecule

ID:46982

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-10(2)13-9-11(15)3-4-14(13)17-12-5-7-16-8-6-12;/h3-4,9-10,12,16H,5-8H2,1-2H3;1H
InChIKey
PBXITGLTNYOWOT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(C)C)OC1CCNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)C(C)C)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.100987874
LogD (pH = 7.4)
0.9453066
Log P
3.3083866
Molar Refractivity
71.6732
Polarizability
28.311293
Polar Surface Area
21.26
Rotatable Bonds
3
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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