3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Formula:C15H11N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate is a drug-like molecule.

MolName	3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate
MolecularFormula	C15H11N2O4S
Smiles	[O-]C(c1cccc(NC(NC(/C=C/c2ccco2)=O)=S)c1)=O
InChI	InChI=1S/C15H12N2O4S/c18-13(7-6-12-5-2-8-21-12)17-15(22)16-11-4-1-3-10(9-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,22)/p-1
InChIK	YQCRZRMKISVFAZ-UHFFFAOYSA-M
TotalMolweight	315.328
Molweight	315.328
MonoisotopicMass	315.043953
CLogP	-0.0835
CLogS	-3.738
H Acceptors	6
H Donors	2
TotalSurfaceArea	247.87
Relative PSA	0.42518
PolarSurfaceArea	126.49
Druglikeness	-0.027206
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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