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

Formula:C19H15N2O5ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-4-[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-chloro-4-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate
MolecularFormula	C19H15N2O5ClS
Smiles	[O-]C(c(ccc(-c1ccc(/C=C2/SC([NH+]3CCOCC3)=NC2=O)o1)c1)c1Cl)=O
InChI	InChI=1S/C19H15ClN2O5S/c20-14-9-11(1-3-13(14)18(24)25)15-4-2-12(27-15)10-16-17(23)21-19(28-16)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,24,25)
InChIK	XKRNDTWQJCCKTO-UHFFFAOYSA-N
TotalMolweight	418.856
Molweight	418.856
MonoisotopicMass	418.03902
CLogP	-1.6297
CLogS	-5.119
H Acceptors	7
H Donors	1
TotalSurfaceArea	308.71
Relative PSA	0.35976
PolarSurfaceArea	121.67
Druglikeness	1.4689
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
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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1 - 2-chloro-4-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate | 2 - 2-chloro-4-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate

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