1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiourea

Formula:C16H20N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiourea is a drug-like molecule.

MolName	1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiourea
MolecularFormula	C16H20N4O2S
Smiles	[O-][N+](c1c(/C=C/C=N\NC(NC2CCCCC2)=S)cccc1)=O
InChI	InChI=1S/C16H20N4O2S/c21-20(22)15-11-5-4-7-13(15)8-6-12-17-19-16(23)18-14-9-2-1-3-10-14/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,23)
InChIK	XUWSCSPPJSZYHE-UHFFFAOYSA-N
TotalMolweight	332.427
Molweight	332.427
MonoisotopicMass	332.130696
CLogP	2.5359
CLogS	-5.14
H Acceptors	6
H Donors	2
TotalSurfaceArea	271.62
Relative PSA	0.34184
PolarSurfaceArea	114.33
Druglikeness	-7.5775
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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