Molecule

ID:61649

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClIN₂O₂
Molecular Mass
350.54019
Exact Mass
349.93190319
Charge
0
InChI
InChI=1S/C10H8ClIN2O2/c1-2-16-10(15)7-5-14-4-3-6(11)8(12)9(14)13-7/h3-5H,2H2,1H3
InChIKey
IIRCJIUYBPOGBX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)c(I)c(cc2)Cl
Isomeric Smiles
c12nc(cn2ccc(c1I)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8374658
LogD (pH = 7.4)
2.8386586
Log P
2.8386738
Molar Refractivity
70.5056
Polarizability
26.866821
Polar Surface Area
43.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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