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

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

MolName	1-[[4-bromo-2-[(E)-2-nitroethenyl]phenoxy]methyl]-2,4-dichlorobenzene
MolecularFormula	C15H10NO3BrCl2
Smiles	[O-][N+](/C=C/c(cc(cc1)Br)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C15H10BrCl2NO3/c16-12-2-4-15(10(7-12)5-6-19(20)21)22-9-11-1-3-13(17)8-14(11)18/h1-8H,9H2
InChIK	QMBHJYAPWOUPMF-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	none
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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