Molecule

ID:20866

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO
Molecular Mass
248.1489
Exact Mass
247.05306947
Charge
0
InChI
InChI=1S/C11H14ClNO.ClH/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11;/h1,3-4,7,11,13H,2,5-6,8H2;1H
InChIKey
CNQOQASAMXQVLU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2cccc(c2)Cl)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.64504284
LogD (pH = 7.4)
0.48569024
Log P
2.5207803
Molar Refractivity
57.2616
Polarizability
22.87338
Polar Surface Area
21.26
Rotatable Bonds
2
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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