(E)-3-(2,4-dichlorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide

Formula:C16H12N4O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-(2,4-dichlorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide
MolecularFormula	C16H12N4O2Cl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(NNC(c1ccncc1)=O)=S
InChI	InChI=1S/C16H12Cl2N4O2S/c17-12-3-1-10(13(18)9-12)2-4-14(23)20-16(25)22-21-15(24)11-5-7-19-8-6-11/h1-9H,(H,21,24)(H2,20,22,23,25)
InChIK	BSMUIUXCQDOUET-UHFFFAOYSA-N
TotalMolweight	395.269
Molweight	395.269
MonoisotopicMass	394.0058
CLogP	2.3403
CLogS	-4.902
H Acceptors	6
H Donors	3
TotalSurfaceArea	291.71
Relative PSA	0.34085
PolarSurfaceArea	115.21
Druglikeness	1.1469
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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