Molecule

ID:65754

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂O
Molecular Mass
179.00406
Exact Mass
177.97006812
Charge
0
InChI
InChI=1S/C5H4Cl2N2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKey
FNXVYHFDDCNERP-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)ncc1Cl
Isomeric Smiles
n1c(nc(c(c1)Cl)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9991164
LogD (pH = 7.4)
1.9991168
Log P
1.9991168
Molar Refractivity
39.8024
Polarizability
15.144674
Polar Surface Area
35.01
Rotatable Bonds
1
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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