(E)-N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C17H13N3O2ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C17H13N3O2ClFS
Smiles	O=C(/C=C/c(cc1)ccc1F)NC(NNC(c1cccc(Cl)c1)=O)=S
InChI	InChI=1S/C17H13ClFN3O2S/c18-13-3-1-2-12(10-13)16(24)21-22-17(25)20-15(23)9-6-11-4-7-14(19)8-5-11/h1-10H,(H,21,24)(H2,20,22,23,25)
InChIK	ZWKFFNJEWRNZSR-UHFFFAOYSA-N
TotalMolweight	377.826
Molweight	377.826
MonoisotopicMass	377.040102
CLogP	2.836
CLogS	-5.275
H Acceptors	5
H Donors	3
TotalSurfaceArea	283.88
Relative PSA	0.31161
PolarSurfaceArea	102.32
Druglikeness	-0.19313
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

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