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

Formula:C17H14N3O3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C17H14N3O3FS
Smiles	Oc(cccc1)c1C(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=O
InChI	InChI=1S/C17H14FN3O3S/c18-12-8-5-11(6-9-12)7-10-15(23)19-17(25)21-20-16(24)13-3-1-2-4-14(13)22/h1-10,22H,(H,20,24)(H2,19,21,23,25)
InChIK	QTLJGLXBKQUHSI-UHFFFAOYSA-N
TotalMolweight	359.38
Molweight	359.38
MonoisotopicMass	359.07399
CLogP	1.8843
CLogS	-4.243
H Acceptors	6
H Donors	4
TotalSurfaceArea	274.81
Relative PSA	0.36956
PolarSurfaceArea	122.55
Druglikeness	-0.23769
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	2
Symmetricatoms	2
Amides	1
StereoCon

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

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