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

Formula:C15H10NOCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName(E)-3-(2,4-dichlorophenyl)-N-(4-fluorophenyl)prop-2-enamide
MolecularFormulaC15H10NOCl2F
SmilesO=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)ccc1F
InChIInChI=1S/C15H10Cl2FNO/c16-11-3-1-10(14(17)9-11)2-8-15(20)19-13-6-4-12(18)5-7-13/h1-9H,(H,19,20)
InChIKSVRZJGXKZBHOMX-UHFFFAOYSA-N
TotalMolweight310.154
Molweight310.154
MonoisotopicMass309.012346
CLogP4.4491
CLogS-5.284
H Acceptors2
H Donors1
TotalSurfaceArea225.92
Relative PSA0.10845
PolarSurfaceArea29.1
Druglikeness-1.7029
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Fragments1
Non HAtoms20
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms2
Amides1
StereoCon

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