(E)-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Formula:C16H11N3O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
MolecularFormula	C16H11N3O3Cl2S
Smiles	[O-][N+](c(cc1)cc(Cl)c1NC(NC(/C=C/c(cc1)ccc1Cl)=O)=S)=O
InChI	InChI=1S/C16H11Cl2N3O3S/c17-11-4-1-10(2-5-11)3-8-15(22)20-16(25)19-14-7-6-12(21(23)24)9-13(14)18/h1-9H,(H2,19,20,22,25)
InChIK	VGWOWVSROWEELW-UHFFFAOYSA-N
TotalMolweight	396.253
Molweight	396.253
MonoisotopicMass	394.989816
CLogP	3.6091
CLogS	-5.975
H Acceptors	6
H Donors	2
TotalSurfaceArea	287.41
Relative PSA	0.32838
PolarSurfaceArea	119.04
Druglikeness	-5.5047
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; 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	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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