(E)-4-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid

Formula:C28H19N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid is a drug-like molecule.

MolName	(E)-4-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid
MolecularFormula	C28H19N3O3S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O
InChI	InChI=1S/C28H19N3O3S/c32-26(33)16-19(28-29-22-11-5-7-13-25(22)35-28)14-20-17-31(21-9-2-1-3-10-21)30-27(20)24-15-18-8-4-6-12-23(18)34-24/h1-15,17H,16H2,(H,32,33)
InChIK	WAKBEYPUEFRPAX-UHFFFAOYSA-N
TotalMolweight	477.543
Molweight	477.543
MonoisotopicMass	477.114712
CLogP	4.7339
CLogS	-5.854
H Acceptors	6
H Donors	1
TotalSurfaceArea	356.66
Relative PSA	0.25071
PolarSurfaceArea	109.39
Druglikeness	3.9497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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