Molecule

ID:80950

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₂O₂
Molecular Mass
279.16294
Exact Mass
278.05888312
Charge
0
InChI
InChI=1S/C11H16ClN2O2.ClH/c1-14(2,13)5-8-3-10(12)4-9-6-15-7-16-11(8)9;/h3-4H,5-7,13H2,1-2H3;1H/q+1;/p-1
InChIKey
HMJFZPMAVMYMLS-UHFFFAOYSA-M
Canonic Smiles
Clc1cc(C[N+](N)(C)C)c2c(c1)COCO2.[Cl-]
Isomeric Smiles
[N+](Cc1cc(cc2c1OCOC2)Cl)(N)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
16.631096
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5225004
LogD (pH = 7.4)
-1.5225004
Log P
-1.5225004
Molar Refractivity
66.1624
Polarizability
24.934755
Polar Surface Area
44.48
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
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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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