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

Formula:C17H13N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate is a drug-like molecule.

MolName	3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
MolecularFormula	C17H13N2O3S
Smiles	[O-]C(c1cccc(NC(NC(/C=C/c2ccccc2)=O)=S)c1)=O
InChI	InChI=1S/C17H14N2O3S/c20-15(10-9-12-5-2-1-3-6-12)19-17(23)18-14-8-4-7-13(11-14)16(21)22/h1-11H,(H,21,22)(H2,18,19,20,23)/p-1
InChIK	JHXRIHIKTHUWAD-UHFFFAOYSA-M
TotalMolweight	325.367
Molweight	325.367
MonoisotopicMass	325.064688
CLogP	0.7278
CLogS	-4.056
H Acceptors	5
H Donors	2
TotalSurfaceArea	258.18
Relative PSA	0.35355
PolarSurfaceArea	113.35
Druglikeness	-0.35128
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
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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