Molecule

ID:47127

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO
Molecular Mass
248.1489
Exact Mass
247.05306947
Charge
0
InChI
InChI=1S/C11H14ClNO.ClH/c12-11-4-2-1-3-9(11)8-14-10-5-6-13-7-10;/h1-4,10,13H,5-8H2;1H
InChIKey
GGLQACPABZJEIY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1COC1CNCC1.Cl
Isomeric Smiles
c1(c(Cl)cccc1)COC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.197292
LogD (pH = 7.4)
-0.8159526
Log P
2.0368657
Molar Refractivity
57.7209
Polarizability
22.886063
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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