(E)-3-(1,3-benzothiazol-2-yl)-4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]phenyl]but-3-enoic acid

Formula:C28H20N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]phenyl]but-3-enoic acid is not a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-yl)-4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]phenyl]but-3-enoic acid
MolecularFormula	C28H20N2O4S2
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C\c1ccc(/C=C(/CC(O)=O)\c2nc(cccc3)c3s2)cc1)=O
InChI	InChI=1S/C28H20N2O4S2/c31-25(32)15-19(27-29-21-5-1-3-7-23(21)35-27)13-17-9-11-18(12-10-17)14-20(16-26(33)34)28-30-22-6-2-4-8-24(22)36-28/h1-14H,15-16H2,(H,31,32)(H,33,34)
InChIK	QXOQCKXGYSLEFH-UHFFFAOYSA-N
TotalMolweight	512.609
Molweight	512.609
MonoisotopicMass	512.086448
CLogP	4.885
CLogS	-5.364
H Acceptors	6
H Donors	2
TotalSurfaceArea	376.52
Relative PSA	0.30527
PolarSurfaceArea	156.86
Druglikeness	1.799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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1 - (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]phenyl]but-3-enoic acid | 2 - (E)-3-(1,3-benzothiazol-2-yl)-4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-carboxyprop-1-enyl]phenyl]but-3-enoic acid

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