3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenyl-1H-imidazole-2-thione

Formula:C18H14N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenyl-1H-imidazole-2-thione is a drug-like molecule.

MolName	3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenyl-1H-imidazole-2-thione
MolecularFormula	C18H14N4O2S
Smiles	[O-][N+](c1c(/C=C/C=N\N(C=C(c2ccccc2)N2)C2=S)cccc1)=O
InChI	InChI=1S/C18H14N4O2S/c23-22(24)17-11-5-4-9-15(17)10-6-12-19-21-13-16(20-18(21)25)14-7-2-1-3-8-14/h1-13H,(H,20,25)
InChIK	SMUZIDHJZRXEBT-UHFFFAOYSA-N
TotalMolweight	350.401
Molweight	350.401
MonoisotopicMass	350.083746
CLogP	2.5228
CLogS	-4.969
H Acceptors	6
H Donors	1
TotalSurfaceArea	273.63
Relative PSA	0.31042
PolarSurfaceArea	105.54
Druglikeness	-1.6942
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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