Molecule

ID:124111

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₄O
Molecular Mass
271.10272
Exact Mass
270.00751626
Charge
0
InChI
InChI=1S/C10H8Cl2N4O/c11-9-10(12)16(6-14-9)5-8(17)15-7-2-1-3-13-4-7/h1-4,6H,5H2,(H,15,17)
InChIKey
ZSIJJAFOLCRWPC-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1cnc(c1Cl)Cl)Nc1cccnc1
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)CC(=O)Nc1cnccc1
Calculated Properties
JChem
Acid pKa
12.07622
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8867358
LogD (pH = 7.4)
0.9159458
Log P
0.91634184
Molar Refractivity
66.7865
Polarizability
24.72138
Polar Surface Area
59.81
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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