(E)-2-(1,3-benzothiazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile

Formula:C32H21N4OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile
MolecularFormula	C32H21N4OFS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cn(-c2ccccc2)nc1-c1cc(OCc(cccc2)c2F)ccc1
InChI	InChI=1S/C32H21FN4OS/c33-28-14-5-4-9-23(28)21-38-27-13-8-10-22(18-27)31-25(20-37(36-31)26-11-2-1-3-12-26)17-24(19-34)32-35-29-15-6-7-16-30(29)39-32/h1-18,20H,21H2
InChIK	AZULMCXCWBGJTJ-UHFFFAOYSA-N
TotalMolweight	528.61
Molweight	528.61
MonoisotopicMass	528.142009
CLogP	5.7077
CLogS	-7.061
H Acceptors	5
TotalSurfaceArea	406.09
Relative PSA	0.1791
PolarSurfaceArea	91.97
Druglikeness	-2.3151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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