4-[[4-bromo-2-[(E)-2-nitroethenyl]phenoxy]methyl]-1,2-dichlorobenzene

Formula:C15H10NO3BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:low 4-[[4-bromo-2-[(E)-2-nitroethenyl]phenoxy]methyl]-1,2-dichlorobenzene is a drug-like molecule.

MolName	4-[[4-bromo-2-[(E)-2-nitroethenyl]phenoxy]methyl]-1,2-dichlorobenzene
MolecularFormula	C15H10NO3BrCl2
Smiles	[O-][N+](/C=C/c(cc(cc1)Br)c1OCc(cc1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C15H10BrCl2NO3/c16-12-2-4-15(11(8-12)5-6-19(20)21)22-9-10-1-3-13(17)14(18)7-10/h1-8H,9H2
InChIK	WMXMFGWOUQSBMB-UHFFFAOYSA-N
TotalMolweight	403.058
Molweight	403.058
MonoisotopicMass	400.922109
CLogP	4.0551
CLogS	-6.273
H Acceptors	4
TotalSurfaceArea	256.42
Relative PSA	0.15763
PolarSurfaceArea	55.05
Druglikeness	-8.7526
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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