Molecule

ID:76257

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO
Molecular Mass
248.1489
Exact Mass
247.05306947
Charge
0
InChI
InChI=1S/C11H14ClNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKey
RCKZZPLYUQTPMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)OC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cc(ccc2)Cl)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1440213
LogD (pH = 7.4)
-0.2997027
Log P
2.0633774
Molar Refractivity
57.4824
Polarizability
22.873432
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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