(E)-3-(4-chloro-3-nitrophenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide

Formula:C15H10N4O3ClIS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(4-chloro-3-nitrophenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide
MolecularFormula	C15H10N4O3ClIS
Smiles	[O-][N+](c(cc(/C=C/C(NC(Nc(cc1)ncc1I)=S)=O)cc1)c1Cl)=O
InChI	InChI=1S/C15H10ClIN4O3S/c16-11-4-1-9(7-12(11)21(23)24)2-6-14(22)20-15(25)19-13-5-3-10(17)8-18-13/h1-8H,(H2,18,19,20,22,25)
InChIK	PZRDMVCHKOGWOO-UHFFFAOYSA-N
TotalMolweight	488.688
Molweight	488.688
MonoisotopicMass	487.920686
CLogP	2.7907
CLogS	-5.985
H Acceptors	7
H Donors	2
TotalSurfaceArea	297.03
Relative PSA	0.35468
PolarSurfaceArea	131.93
Druglikeness	-4.9332
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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