[2,4-dibromo-6-[(E)-2-nitroethenyl]phenyl] 2,4-dichlorobenzoate

Formula:C15H7NO4Br2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(E)-2-nitroethenyl]phenyl] 2,4-dichlorobenzoate is a drug-like molecule.

MolName	[2,4-dibromo-6-[(E)-2-nitroethenyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C15H7NO4Br2Cl2
Smiles	[O-][N+](/C=C/c1cc(Br)cc(Br)c1OC(c(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C15H7Br2Cl2NO4/c16-9-5-8(3-4-20(22)23)14(12(17)6-9)24-15(21)11-2-1-10(18)7-13(11)19/h1-7H
InChIK	OMSAFQJBFYAMIA-UHFFFAOYSA-N
TotalMolweight	495.938
Molweight	495.938
MonoisotopicMass	492.811885
CLogP	4.8627
CLogS	-7.236
H Acceptors	5
TotalSurfaceArea	279.04
Relative PSA	0.19159
PolarSurfaceArea	72.12
Druglikeness	-8.0769
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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