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

Formula:C14H13N2O3IS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-iodo-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenolate is a drug-like molecule.

MolName	2-iodo-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenolate
MolecularFormula	C14H13N2O3IS
Smiles	[O-]c(ccc(/C=C1/SC([NH+]2CCOCC2)=NC1=O)c1)c1I
InChI	InChI=1S/C14H13IN2O3S/c15-10-7-9(1-2-11(10)18)8-12-13(19)16-14(21-12)17-3-5-20-6-4-17/h1-2,7-8,18H,3-6H2
InChIK	AMLYWKIRXXZPSK-UHFFFAOYSA-N
TotalMolweight	416.234
Molweight	416.234
MonoisotopicMass	415.969161
CLogP	-2.0113
CLogS	-3.63
H Acceptors	5
H Donors	1
TotalSurfaceArea	252.37
Relative PSA	0.33249
PolarSurfaceArea	91.46
Druglikeness	0.68322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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