2-(2-fluorophenyl)-4,6-bis[(E)-2-(2-fluorophenyl)ethenyl]pyrimidine

Formula:C26H17N2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-(2-fluorophenyl)-4,6-bis[(E)-2-(2-fluorophenyl)ethenyl]pyrimidine is not a drug-like molecule.

MolName	2-(2-fluorophenyl)-4,6-bis[(E)-2-(2-fluorophenyl)ethenyl]pyrimidine
MolecularFormula	C26H17N2F3
Smiles	Fc1c(/C=C/c2nc(-c(cccc3)c3F)nc(/C=C/c(cccc3)c3F)c2)cccc1
InChI	InChI=1S/C26H17F3N2/c27-23-10-4-1-7-18(23)13-15-20-17-21(16-14-19-8-2-5-11-24(19)28)31-26(30-20)22-9-3-6-12-25(22)29/h1-17H
InChIK	JBKDPHVYHQTQPT-UHFFFAOYSA-N
TotalMolweight	414.429
Molweight	414.429
MonoisotopicMass	414.134382
CLogP	6.5638
CLogS	-8.019
H Acceptors	2
TotalSurfaceArea	322.11
Relative PSA	0.068113
PolarSurfaceArea	25.78
Druglikeness	-2.7669
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Symmetricatoms	11
Aromatic Nitrogens	2
StereoCon

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