Molecule

ID:86137

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂N₃O
Molecular Mass
220.05598
Exact Mass
218.99661722
Charge
0
InChI
InChI=1S/C7H7Cl2N3O/c8-3-1-4(7(11)12-13)6(10)5(9)2-3/h1-2,13H,10H2,(H2,11,12)
InChIKey
FLULAACGFNPBKZ-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1cc(Cl)cc(c1N)Cl)\N
Isomeric Smiles
N(=C(\c1c(c(cc(c1)Cl)Cl)N)/N)/O
Calculated Properties
JChem
Acid pKa
9.869609
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.2334683
LogD (pH = 7.4)
1.2676896
Log P
1.269696
Molar Refractivity
53.3902
Polarizability
19.711163
Polar Surface Area
84.63
Rotatable Bonds
1
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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