2-[[2,6-dibromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile

Formula:C16H10N2O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2,6-dibromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2,6-dibromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile
MolecularFormula	C16H10N2O3Br2
Smiles	N#Cc1c(COc(c(Br)cc(/C=C/[N+]([O-])=O)c2)c2Br)cccc1
InChI	InChI=1S/C16H10Br2N2O3/c17-14-7-11(5-6-20(21)22)8-15(18)16(14)23-10-13-4-2-1-3-12(13)9-19/h1-8H,10H2
InChIK	PPSPUOJPSONWSV-UHFFFAOYSA-N
TotalMolweight	438.074
Molweight	438.074
MonoisotopicMass	435.905815
CLogP	3.4039
CLogS	-6.408
H Acceptors	5
TotalSurfaceArea	265.92
Relative PSA	0.20299
PolarSurfaceArea	78.84
Druglikeness	-12.934
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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