[(Z)-2-[1-[(2-bromophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate

Formula:C25H17N2O2BrF2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [(Z)-2-[1-[(2-bromophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[(Z)-2-[1-[(2-bromophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
MolecularFormula	C25H17N2O2BrF2
Smiles	O=C(c(cc1)ccc1F)O/C(/c(cc1)ccc1F)=C\c1nccn1Cc(cccc1)c1Br
InChI	InChI=1S/C25H17BrF2N2O2/c26-22-4-2-1-3-19(22)16-30-14-13-29-24(30)15-23(17-5-9-20(27)10-6-17)32-25(31)18-7-11-21(28)12-8-18/h1-15H,16H2
InChIK	KAZCEEMIWTWSRV-UHFFFAOYSA-N
TotalMolweight	495.322
Molweight	495.322
MonoisotopicMass	494.044145
CLogP	5.5567
CLogS	-4.879
H Acceptors	4
TotalSurfaceArea	338.05
Relative PSA	0.12093
PolarSurfaceArea	44.12
Druglikeness	-1.1045
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [(Z)-2-[1-[(2-bromophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate | 2 - [(Z)-2-[1-[(2-bromophenyl)methyl]imidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate

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