[(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate

Formula:C30H21N2O3BrF2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
MolecularFormula	C30H21N2O3BrF2
Smiles	O=C(c(cc1)ccc1F)O/C(/c(cc1)ccc1F)=C/c1nc(cccc2)c2n1CCOc(cc1)ccc1Br
InChI	InChI=1S/C30H21BrF2N2O3/c31-22-9-15-25(16-10-22)37-18-17-35-27-4-2-1-3-26(27)34-29(35)19-28(20-5-11-23(32)12-6-20)38-30(36)21-7-13-24(33)14-8-21/h1-16,19H,17-18H2
InChIK	ORELROXGZJPNQW-UHFFFAOYSA-N
TotalMolweight	575.408
Molweight	575.408
MonoisotopicMass	574.07036
CLogP	6.9133
CLogS	-6.44
H Acceptors	5
TotalSurfaceArea	396.41
Relative PSA	0.12835
PolarSurfaceArea	53.35
Druglikeness	-0.63777
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate | 2 - [(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate

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