Molecule

ID:82415

General Information
Structure
MolImage
Molecular Formula
C₅H₆Cl₂N₄O
Molecular Mass
209.03334
Exact Mass
207.99186619
Charge
0
InChI
InChI=1S/C5H6Cl2N4O/c6-4-5(7)11(2-9-4)1-3(8)10-12/h2,12H,1H2,(H2,8,10)
InChIKey
UPBRBPFKJJVGFA-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\O)/Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)C/C(=N/O)/N
Calculated Properties
JChem
Acid pKa
8.698693
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.052144736
LogD (pH = 7.4)
-0.0629134
Log P
-0.040583808
Molar Refractivity
46.4321
Polarizability
17.494864
Polar Surface Area
76.43
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
No Data Available
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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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