(E)-3-(2-chloro-6-fluorophenyl)-N-(4-iodophenyl)prop-2-enamide

Formula:C15H10NOClFI Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-(4-iodophenyl)prop-2-enamide is a drug-like molecule.

MolName(E)-3-(2-chloro-6-fluorophenyl)-N-(4-iodophenyl)prop-2-enamide
MolecularFormulaC15H10NOClFI
SmilesO=C(/C=C/c(c(F)ccc1)c1Cl)Nc(cc1)ccc1I
InChIInChI=1S/C15H10ClFINO/c16-13-2-1-3-14(17)12(13)8-9-15(20)19-11-6-4-10(18)5-7-11/h1-9H,(H,19,20)
InChIKBKNNKXKJUNRFAG-UHFFFAOYSA-N
TotalMolweight401.601
Molweight401.601
MonoisotopicMass400.947967
CLogP4.2802
CLogS-5.564
H Acceptors2
H Donors1
TotalSurfaceArea236.78
Relative PSA0.10347
PolarSurfaceArea29.1
Druglikeness-1.116
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
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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