Molecule

ID:85902

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₄O₂
Molecular Mass
230.65154
Exact Mass
230.05705329
Charge
0
InChI
InChI=1S/C8H11ClN4O2/c1-5-3-6(13(2)11-5)8(14)15-12-7(10)4-9/h3H,4H2,1-2H3,(H2,10,12)
InChIKey
OXQSBYAUIKMVPG-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C(=O)O/N=C(/CCl)\N)C
Isomeric Smiles
n1(c(cc(n1)C)C(=O)O/N=C(\N)/CCl)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.24980786
LogD (pH = 7.4)
0.24999826
Log P
0.2500007
Molar Refractivity
66.3573
Polarizability
20.78545
Polar Surface Area
82.5
Rotatable Bonds
4
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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