5-bromo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate

Formula:C17H12N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate is a drug-like molecule.

MolName	5-bromo-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
MolecularFormula	C17H12N2O3BrS
Smiles	[O-]C(c(cc(cc1)Br)c1NC(NC(/C=C/c1ccccc1)=O)=S)=O
InChI	InChI=1S/C17H13BrN2O3S/c18-12-7-8-14(13(10-12)16(22)23)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)/p-1
InChIK	QULKIENXDUQOBF-UHFFFAOYSA-M
TotalMolweight	404.263
Molweight	404.263
MonoisotopicMass	402.975199
CLogP	1.453
CLogS	-4.89
H Acceptors	5
H Donors	2
TotalSurfaceArea	276.81
Relative PSA	0.32976
PolarSurfaceArea	113.35
Druglikeness	-2.1413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
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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