2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid

Formula:C24H14N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid is a drug-like molecule.

MolName	2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid
MolecularFormula	C24H14N4O5S
Smiles	[O-][N+](c1c(/C=C(/C2=O)\N=C(c3ccccc3)N2c2nc(ccc(C(O)=O)c3)c3s2)cccc1)=O
InChI	InChI=1S/C24H14N4O5S/c29-22-18(12-15-8-4-5-9-19(15)28(32)33)25-21(14-6-2-1-3-7-14)27(22)24-26-17-11-10-16(23(30)31)13-20(17)34-24/h1-13H,(H,30,31)
InChIK	BXKWDZMZEFENEE-UHFFFAOYSA-N
TotalMolweight	470.464
Molweight	470.464
MonoisotopicMass	470.068491
CLogP	3.5033
CLogS	-6.706
H Acceptors	9
H Donors	1
TotalSurfaceArea	332.08
Relative PSA	0.34928
PolarSurfaceArea	156.92
Druglikeness	-1.7719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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1 - 2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid | 2 - 2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid

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