3-benzylsulfanyl-5-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile

Formula:C18H13N4IS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-benzylsulfanyl-5-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile is not a drug-like molecule.

MolName	3-benzylsulfanyl-5-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile
MolecularFormula	C18H13N4IS2
Smiles	N#Cc1c(N/N=C\c2cccc(I)c2)snc1SCc1ccccc1
InChI	InChI=1S/C18H13IN4S2/c19-15-8-4-7-14(9-15)11-21-22-17-16(10-20)18(23-25-17)24-12-13-5-2-1-3-6-13/h1-9,11,22H,12H2
InChIK	GQNPYRYUYGJXBH-UHFFFAOYSA-N
TotalMolweight	476.361
Molweight	476.361
MonoisotopicMass	475.962634
CLogP	6.6377
CLogS	-5.52
H Acceptors	4
H Donors	1
TotalSurfaceArea	302.94
Relative PSA	0.28174
PolarSurfaceArea	114.61
Druglikeness	0.044039
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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