Molecule

ID:84258

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N₃O₂
Molecular Mass
272.08748
Exact Mass
270.99153184
Charge
0
InChI
InChI=1S/C10H7Cl2N3O2/c11-5-8(16)13-10-9(14-17-15-10)6-1-3-7(12)4-2-6/h1-4H,5H2,(H,13,15,16)
InChIKey
QRTSTZNFPMTKAV-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1nonc1c1ccc(cc1)Cl
Isomeric Smiles
n1c(c(no1)c1ccc(cc1)Cl)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.417997
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5687182
LogD (pH = 7.4)
2.5683274
Log P
2.5687232
Molar Refractivity
65.9273
Polarizability
25.07468
Polar Surface Area
68.02
Rotatable Bonds
3
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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