1-(2,4-dichlorophenyl)-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiourea

Formula:C16H12N4O2Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2,4-dichlorophenyl)-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiourea is a drug-like molecule.

MolName	1-(2,4-dichlorophenyl)-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiourea
MolecularFormula	C16H12N4O2Cl2S
Smiles	[O-][N+](c1c(/C=C/C=N\NC(Nc(ccc(Cl)c2)c2Cl)=S)cccc1)=O
InChI	InChI=1S/C16H12Cl2N4O2S/c17-12-7-8-14(13(18)10-12)20-16(25)21-19-9-3-5-11-4-1-2-6-15(11)22(23)24/h1-10H,(H2,20,21,25)
InChIK	CPUDUVMCZGJRNN-UHFFFAOYSA-N
TotalMolweight	395.269
Molweight	395.269
MonoisotopicMass	394.0058
CLogP	3.9009
CLogS	-6.545
H Acceptors	6
H Donors	2
TotalSurfaceArea	294.42
Relative PSA	0.31537
PolarSurfaceArea	114.33
Druglikeness	-2.8361
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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