(E)-3-(4-bromothiophen-2-yl)-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide

Formula:C14H7N2OBrClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromothiophen-2-yl)-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-bromothiophen-2-yl)-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C14H7N2OBrClFS
Smiles	N#C/C(/C(Nc(cc1)cc(Cl)c1F)=O)=C\c1cc(Br)cs1
InChI	InChI=1S/C14H7BrClFN2OS/c15-9-4-11(21-7-9)3-8(6-18)14(20)19-10-1-2-13(17)12(16)5-10/h1-5,7H,(H,19,20)
InChIK	VVQQSKJCSUOCGA-UHFFFAOYSA-N
TotalMolweight	385.644
Molweight	385.644
MonoisotopicMass	383.913499
CLogP	4.2869
CLogS	-5.664
H Acceptors	3
H Donors	1
TotalSurfaceArea	244.99
Relative PSA	0.23846
PolarSurfaceArea	81.13
Druglikeness	-7.3683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Amides	1
StereoCon

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