1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]thiourea

Formula:C15H12N4F2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]thiourea is a drug-like molecule.

MolName	1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]thiourea
MolecularFormula	C15H12N4F2S
Smiles	Fc1ccc(/C=N\NC(N/N=C\c(cc2)ccc2F)=S)cc1
InChI	InChI=1S/C15H12F2N4S/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)
InChIK	XNOBLNYBSDXYAI-UHFFFAOYSA-N
TotalMolweight	318.35
Molweight	318.35
MonoisotopicMass	318.075072
CLogP	4.1883
CLogS	-5.542
H Acceptors	4
H Donors	2
TotalSurfaceArea	250.87
Relative PSA	0.29473
PolarSurfaceArea	80.87
Druglikeness	0.71745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.77273
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	12
StereoCon

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