[(E)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate

Formula:C29H19N2O2BrF2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [(E)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[(E)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
MolecularFormula	C29H19N2O2BrF2
Smiles	O=C(c(cc1)ccc1F)O/C(/c(cc1)ccc1F)=C/c1nc(cccc2)c2n1Cc(cc1)ccc1Br
InChI	InChI=1S/C29H19BrF2N2O2/c30-22-11-5-19(6-12-22)18-34-26-4-2-1-3-25(26)33-28(34)17-27(20-7-13-23(31)14-8-20)36-29(35)21-9-15-24(32)16-10-21/h1-17H,18H2
InChIK	CXUCFAOFSWWMAB-UHFFFAOYSA-N
TotalMolweight	545.382
Molweight	545.382
MonoisotopicMass	544.059795
CLogP	6.9961
CLogS	-6.275
H Acceptors	4
TotalSurfaceArea	372.65
Relative PSA	0.1097
PolarSurfaceArea	44.12
Druglikeness	-1.1045
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [(E)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate | 2 - [(E)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate

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