Molecule

ID:20880

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO
Molecular Mass
248.1489
Exact Mass
247.05306947
Charge
0
InChI
InChI=1S/C11H14ClNO.ClH/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2;1H
InChIKey
NRNUAELGGRFVQV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2ccc(Cl)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.64624697
LogD (pH = 7.4)
0.47868446
Log P
2.5207803
Molar Refractivity
57.2616
Polarizability
22.864378
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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