(E)-3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide

Formula:C15H10NOCl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide is a drug-like molecule.

MolName(E)-3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
MolecularFormulaC15H10NOCl3
SmilesO=C(/C=C/c(cc1)ccc1Cl)Nc(cc(cc1)Cl)c1Cl
InChIInChI=1S/C15H10Cl3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-9-12(17)6-7-13(14)18/h1-9H,(H,19,20)
InChIKKQDFXLOLTLDGTB-UHFFFAOYSA-N
TotalMolweight326.609
Molweight326.609
MonoisotopicMass324.982795
CLogP4.9543
CLogS-5.706
H Acceptors2
H Donors1
TotalSurfaceArea234.99
Relative PSA0.10426
PolarSurfaceArea29.1
Druglikeness-0.36294
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritantlow
Nasty Functions
Shape Index0.65
Fragments1
Non HAtoms20
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms2
Amides1
StereoCon

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