(E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid

Formula:C26H19N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid is a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid
MolecularFormula	C26H19N3O2S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O
InChI	InChI=1S/C26H19N3O2S/c30-24(31)16-19(26-27-22-13-7-8-14-23(22)32-26)15-20-17-29(21-11-5-2-6-12-21)28-25(20)18-9-3-1-4-10-18/h1-15,17H,16H2,(H,30,31)
InChIK	QPUFRJHFWHBNOH-UHFFFAOYSA-N
TotalMolweight	437.522
Molweight	437.522
MonoisotopicMass	437.119797
CLogP	4.1913
CLogS	-5.003
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.37
Relative PSA	0.22658
PolarSurfaceArea	96.25
Druglikeness	3.9386
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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