1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-pyridin-3-ylthiourea

Formula:C13H10N4F2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-pyridin-3-ylthiourea is a drug-like molecule.

MolName	1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-pyridin-3-ylthiourea
MolecularFormula	C13H10N4F2S
Smiles	Fc1cccc(F)c1/C=N\NC(Nc1cnccc1)=S
InChI	InChI=1S/C13H10F2N4S/c14-11-4-1-5-12(15)10(11)8-17-19-13(20)18-9-3-2-6-16-7-9/h1-8H,(H2,18,19,20)
InChIK	YPKXLZGTGYNKFC-UHFFFAOYSA-N
TotalMolweight	292.312
Molweight	292.312
MonoisotopicMass	292.059422
CLogP	2.7929
CLogS	-4.154
H Acceptors	4
H Donors	2
TotalSurfaceArea	224.87
Relative PSA	0.32641
PolarSurfaceArea	81.4
Druglikeness	0.8925
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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