2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-6-nitrophenolate

Formula:C21H15N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-6-nitrophenolate is a drug-like molecule.

MolName	2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-6-nitrophenolate
MolecularFormula	C21H15N3O5Br
Smiles	[O-]c(c([N+]([O-])=O)cc(/C=N\NC(C(c1ccccc1)(c1ccccc1)O)=O)c1)c1Br
InChI	InChI=1S/C21H16BrN3O5/c22-17-11-14(12-18(19(17)26)25(29)30)13-23-24-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,26,28H,(H,24,27)/p-1
InChIK	XTOJQIYXVKNALN-UHFFFAOYSA-M
TotalMolweight	469.27
Molweight	469.27
MonoisotopicMass	468.019508
CLogP	1.3618
CLogS	-5.425
H Acceptors	8
H Donors	2
TotalSurfaceArea	313.34
Relative PSA	0.29939
PolarSurfaceArea	130.57
Druglikeness	-1.4805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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1 - 2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-6-nitrophenolate | 2 - 2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-6-nitrophenolate

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