4-[[4-bromo-2-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C24H15N2O4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[4-bromo-2-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[4-bromo-2-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H15N2O4BrS
Smiles	OC(c1ccc(COc(cc2)c(/C=C3\Sc4nc(cccc5)c5n4C3=O)cc2Br)cc1)=O
InChI	InChI=1S/C24H15BrN2O4S/c25-17-9-10-20(31-13-14-5-7-15(8-6-14)23(29)30)16(11-17)12-21-22(28)27-19-4-2-1-3-18(19)26-24(27)32-21/h1-12H,13H2,(H,29,30)
InChIK	SYJGVWLMFVHQFV-UHFFFAOYSA-N
TotalMolweight	507.363
Molweight	507.363
MonoisotopicMass	505.993589
CLogP	5.0646
CLogS	-6.323
H Acceptors	6
H Donors	1
TotalSurfaceArea	328.28
Relative PSA	0.25743
PolarSurfaceArea	106.72
Druglikeness	1.3035
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 4-[[4-bromo-2-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[4-bromo-2-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic acid

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