2-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate

Formula:C19H16N2O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	2-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate
MolecularFormula	C19H16N2O5S
Smiles	[O-]C(c(cccc1)c1-c1ccc(/C=C2/SC([NH+]3CCOCC3)=NC2=O)o1)=O
InChI	InChI=1S/C19H16N2O5S/c22-17-16(27-19(20-17)21-7-9-25-10-8-21)11-12-5-6-15(26-12)13-3-1-2-4-14(13)18(23)24/h1-6,11H,7-10H2,(H,23,24)
InChIK	UIJYAYBGLADYJX-UHFFFAOYSA-N
TotalMolweight	384.411
Molweight	384.411
MonoisotopicMass	384.077993
CLogP	-2.2357
CLogS	-4.383
H Acceptors	7
H Donors	1
TotalSurfaceArea	293.29
Relative PSA	0.37867
PolarSurfaceArea	121.67
Druglikeness	1.3951
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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