1-(3,4-dichlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thiourea

Formula:C14H9N3Cl2F2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(3,4-dichlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thiourea is not a drug-like molecule.

MolName	1-(3,4-dichlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thiourea
MolecularFormula	C14H9N3Cl2F2S
Smiles	Fc1cccc(F)c1/C=N\NC(Nc(cc1)cc(Cl)c1Cl)=S
InChI	InChI=1S/C14H9Cl2F2N3S/c15-10-5-4-8(6-11(10)16)20-14(22)21-19-7-9-12(17)2-1-3-13(9)18/h1-7H,(H2,20,21,22)
InChIK	QODODPOYCOJYPS-UHFFFAOYSA-N
TotalMolweight	360.214
Molweight	360.214
MonoisotopicMass	358.986227
CLogP	5.0058
CLogS	-6.421
H Acceptors	3
H Donors	2
TotalSurfaceArea	256.95
Relative PSA	0.24297
PolarSurfaceArea	68.51
Druglikeness	0.92359
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	3
StereoCon

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