Molecule

ID:82383

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂N₂O₂
Molecular Mass
223.05662
Exact Mass
221.99628287
Charge
0
InChI
InChI=1S/C7H8Cl2N2O2/c1-2-13-5(12)3-11-4-10-6(8)7(11)9/h4H,2-3H2,1H3
InChIKey
RFDHEBGHIJMRTI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2010435
LogD (pH = 7.4)
1.2023971
Log P
1.2024144
Molar Refractivity
50.1838
Polarizability
19.347076
Polar Surface Area
44.12
Rotatable Bonds
4
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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