1-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-(2-chlorophenyl)thiourea

Formula:C16H12N3Cl3S Mutagenic:high Tumorigenic:low Reproductive Effective:high 1-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-(2-chlorophenyl)thiourea is not a drug-like molecule.

MolName	1-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-(2-chlorophenyl)thiourea
MolecularFormula	C16H12N3Cl3S
Smiles	S=C(Nc(cccc1)c1Cl)N/N=C\C=C(\c(cc1)ccc1Cl)/Cl
InChI	InChI=1S/C16H12Cl3N3S/c17-12-7-5-11(6-8-12)13(18)9-10-20-22-16(23)21-15-4-2-1-3-14(15)19/h1-10H,(H2,21,22,23)
InChIK	YFADJEZZJSEKLP-UHFFFAOYSA-N
TotalMolweight	384.717
Molweight	384.717
MonoisotopicMass	382.981748
CLogP	5.1012
CLogS	-5.234
H Acceptors	3
H Donors	2
TotalSurfaceArea	284.38
Relative PSA	0.21953
PolarSurfaceArea	68.51
Druglikeness	2.6074
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	allyl/benzyl chloride; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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1 - 1-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-(2-chlorophenyl)thiourea | 2 - 1-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-(2-chlorophenyl)thiourea

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