1-(4-fluorophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

Formula:C16H14N3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(4-fluorophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea is a drug-like molecule.

MolName	1-(4-fluorophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
MolecularFormula	C16H14N3FS
Smiles	Fc(cc1)ccc1NC(N/N=C\C=C\c1ccccc1)=S
InChI	InChI=1S/C16H14FN3S/c17-14-8-10-15(11-9-14)19-16(21)20-18-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,19,20,21)
InChIK	ZPLAUJASMZNAJP-UHFFFAOYSA-N
TotalMolweight	299.372
Molweight	299.372
MonoisotopicMass	299.089245
CLogP	3.7113
CLogS	-4.927
H Acceptors	3
H Donors	2
TotalSurfaceArea	246.26
Relative PSA	0.25351
PolarSurfaceArea	68.51
Druglikeness	0.94933
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.7619
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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