1-(2,4-dichlorophenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea

Formula:C12H9N3Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2,4-dichlorophenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea is a drug-like molecule.

MolName	1-(2,4-dichlorophenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea
MolecularFormula	C12H9N3Cl2S2
Smiles	S=C(Nc(ccc(Cl)c1)c1Cl)N/N=C\c1cscc1
InChI	InChI=1S/C12H9Cl2N3S2/c13-9-1-2-11(10(14)5-9)16-12(18)17-15-6-8-3-4-19-7-8/h1-7H,(H2,16,17,18)
InChIK	JRSMUPSBSZLTGK-UHFFFAOYSA-N
TotalMolweight	330.262
Molweight	330.262
MonoisotopicMass	328.961491
CLogP	4.5886
CLogS	-5.693
H Acceptors	3
H Donors	2
TotalSurfaceArea	240.19
Relative PSA	0.34469
PolarSurfaceArea	96.75
Druglikeness	2.9577
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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