[(Z)-(4-bromophenyl)methylideneamino] 2,4-dinitrobenzoate

Formula:C14H8N3O6Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-(4-bromophenyl)methylideneamino] 2,4-dinitrobenzoate is a drug-like molecule.

MolName	[(Z)-(4-bromophenyl)methylideneamino] 2,4-dinitrobenzoate
MolecularFormula	C14H8N3O6Br
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1C(O/N=C\c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C14H8BrN3O6/c15-10-3-1-9(2-4-10)8-16-24-14(19)12-6-5-11(17(20)21)7-13(12)18(22)23/h1-8H
InChIK	KJQPOIXREMMRFF-UHFFFAOYSA-N
TotalMolweight	394.137
Molweight	394.137
MonoisotopicMass	392.959648
CLogP	2.8001
CLogS	-5.525
H Acceptors	9
TotalSurfaceArea	251.5
Relative PSA	0.37928
PolarSurfaceArea	130.3
Druglikeness	-10.277
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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