Molecule

ID:22387

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂O
Molecular Mass
179.00406
Exact Mass
177.97006812
Charge
0
InChI
InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey
ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1Cl)Cl
Isomeric Smiles
n1c(nc(c(c1)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6248363
LogD (pH = 7.4)
1.6248364
Log P
1.6248364
Molar Refractivity
40.5502
Polarizability
15.177069
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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