(Z)-2-(1,3-benzothiazol-2-yl)-1-phenyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

Formula:C29H19N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-1-phenyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-1-phenyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C29H19N3OS2
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChI	InChI=1S/C29H19N3OS2/c33-28(20-10-3-1-4-11-20)23(29-30-24-14-7-8-15-25(24)35-29)18-21-19-32(22-12-5-2-6-13-22)31-27(21)26-16-9-17-34-26/h1-19H
InChIK	MOEWGZFNCJENNX-UHFFFAOYSA-N
TotalMolweight	489.622
Molweight	489.622
MonoisotopicMass	489.096952
CLogP	5.5903
CLogS	-6.495
H Acceptors	4
TotalSurfaceArea	367.96
Relative PSA	0.2244
PolarSurfaceArea	104.26
Druglikeness	4.7394
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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