[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 4-bromobenzoate

Formula:C21H15N4O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 4-bromobenzoate is a drug-like molecule.

MolName	[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 4-bromobenzoate
MolecularFormula	C21H15N4O6Br
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/COC(c(cc1)ccc1Br)=O)\c1ccccc1)=O
InChI	InChI=1S/C21H15BrN4O6/c22-16-8-6-15(7-9-16)21(27)32-13-19(14-4-2-1-3-5-14)24-23-18-11-10-17(25(28)29)12-20(18)26(30)31/h1-12,23H,13H2
InChIK	FWSJMDXCKKYZFJ-UHFFFAOYSA-N
TotalMolweight	499.276
Molweight	499.276
MonoisotopicMass	498.017497
CLogP	4.6625
CLogS	-6.336
H Acceptors	10
H Donors	1
TotalSurfaceArea	334.69
Relative PSA	0.31925
PolarSurfaceArea	142.33
Druglikeness	-5.8935
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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