Molecule

ID:86381

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂O
Molecular Mass
269.1266
Exact Mass
268.01701831
Charge
0
InChI
InChI=1S/C12H10Cl2N2O/c13-8-5-2-6-9(14)10(8)11-15-12(17-16-11)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKey
UDLGLGRKHCHBNN-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1c1noc(n1)C1CCC1)Cl
Isomeric Smiles
n1c(C2CCC2)onc1c1c(cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.620792
LogD (pH = 7.4)
4.620792
Log P
4.620792
Molar Refractivity
78.1357
Polarizability
26.093433
Polar Surface Area
38.92
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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