(Z)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

Formula:C28H20N3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C28H20N3F3
Smiles	N#C/C(/c1cccc(C(F)(F)F)c1)=C\c1cn(-c2ccccc2)nc1-c1cc(CCC2)c2cc1
InChI	InChI=1S/C28H20F3N3/c29-28(30,31)25-9-5-8-21(16-25)23(17-32)15-24-18-34(26-10-2-1-3-11-26)33-27(24)22-13-12-19-6-4-7-20(19)14-22/h1-3,5,8-16,18H,4,6-7H2
InChIK	DMOIPSSZFIONJE-UHFFFAOYSA-N
TotalMolweight	455.482
Molweight	455.482
MonoisotopicMass	455.160931
CLogP	5.9147
CLogS	-6.742
H Acceptors	3
TotalSurfaceArea	344.16
Relative PSA	0.091237
PolarSurfaceArea	41.61
Druglikeness	-11.92
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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