Molecule

ID:84524

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂N₂O₂
Molecular Mass
307.13152
Exact Mass
305.99628287
Charge
0
InChI
InChI=1S/C14H8Cl2N2O2/c15-12-7-10(8-13(16)18-12)14(19)20-11-3-1-9(2-4-11)5-6-17/h1-4,7-8H,5H2
InChIKey
FFBHGESMPFESFP-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OC(=O)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)Oc1ccc(cc1)CC#N)Cl
Calculated Properties
JChem
Acid pKa
14.033811
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7611496
LogD (pH = 7.4)
3.7611496
Log P
3.7611496
Molar Refractivity
77.7231
Polarizability
29.049917
Polar Surface Area
62.98
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
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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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