(E)-3-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-2-(3-fluorophenyl)prop-2-enenitrile

Formula:C22H14N2O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-2-(3-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
MolecularFormula	C22H14N2O3BrF
Smiles	N#C/C(/c1cc(F)ccc1)=C/c(cc1)cc(Br)c1OCc1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C22H14BrFN2O3/c23-21-11-15(9-18(13-25)17-4-2-5-19(24)12-17)7-8-22(21)29-14-16-3-1-6-20(10-16)26(27)28/h1-12H,14H2
InChIK	VXDLZOSWEBLGMV-UHFFFAOYSA-N
TotalMolweight	453.266
Molweight	453.266
MonoisotopicMass	452.017182
CLogP	4.5851
CLogS	-6.578
H Acceptors	5
TotalSurfaceArea	311.61
Relative PSA	0.17323
PolarSurfaceArea	78.84
Druglikeness	-13.461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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