4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate

Formula:C17H11N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate is a drug-like molecule.

MolName	4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate
MolecularFormula	C17H11N2O3Cl2S
Smiles	[O-]C(c(cc1)ccc1NC(NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=S)=O
InChI	InChI=1S/C17H12Cl2N2O3S/c18-12-5-1-10(14(19)9-12)4-8-15(22)21-17(25)20-13-6-2-11(3-7-13)16(23)24/h1-9H,(H,23,24)(H2,20,21,22,25)/p-1
InChIK	YPYJNFUOBHHWEF-UHFFFAOYSA-M
TotalMolweight	394.257
Molweight	394.257
MonoisotopicMass	392.986742
CLogP	1.9398
CLogS	-5.528
H Acceptors	5
H Donors	2
TotalSurfaceArea	289.02
Relative PSA	0.31583
PolarSurfaceArea	113.35
Druglikeness	-0.26328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
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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