Molecule

ID:60450

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClN₃O₂
Molecular Mass
227.6476
Exact Mass
227.04615426
Charge
0
InChI
InChI=1S/C9H10ClN3O2/c1-5-4-6(10)2-3-7(5)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKey
OVQRCCDUIINATC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1ccc(cc1C)Cl
Isomeric Smiles
C(=O)(C(=O)Nc1c(cc(cc1)Cl)C)NN
Calculated Properties
JChem
Acid pKa
9.149059
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.1842709
LogD (pH = 7.4)
1.177801
Log P
1.1845981
Molar Refractivity
58.8682
Polarizability
21.551931
Polar Surface Area
84.22
Rotatable Bonds
2
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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