(E)-3-(2-chlorophenyl)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

Formula:C17H11N3O2Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-(2-chlorophenyl)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
MolecularFormulaC17H11N3O2Cl2
SmilesO=C(/C=C/c(cccc1)c1Cl)Nc1nnc(-c(cc2)ccc2Cl)o1
InChIInChI=1S/C17H11Cl2N3O2/c18-13-8-5-12(6-9-13)16-21-22-17(24-16)20-15(23)10-7-11-3-1-2-4-14(11)19/h1-10H,(H,20,22,23)
InChIKFKLUAMMZXBYIKP-UHFFFAOYSA-N
TotalMolweight360.199
Molweight360.199
MonoisotopicMass359.022831
CLogP4.5429
CLogS-6.97
H Acceptors5
H Donors1
TotalSurfaceArea266.54
Relative PSA0.22717
PolarSurfaceArea68.02
Druglikeness0.91661
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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