[3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate

Formula:C21H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate
MolecularFormula	C21H14N4O8
Smiles	[O-][N+](c1cc(C(Oc2cc(/C=N\NC(c(cccc3)c3O)=O)ccc2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C21H14N4O8/c26-19-7-2-1-6-18(19)20(27)23-22-12-13-4-3-5-17(8-13)33-21(28)14-9-15(24(29)30)11-16(10-14)25(31)32/h1-12,26H,(H,23,27)
InChIK	PLIHRJZZFIGQBF-UHFFFAOYSA-N
TotalMolweight	450.362
Molweight	450.362
MonoisotopicMass	450.081166
CLogP	2.4432
CLogS	-5.815
H Acceptors	12
H Donors	2
TotalSurfaceArea	328.19
Relative PSA	0.40522
PolarSurfaceArea	179.63
Druglikeness	-1.0774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate | 2 - [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate

Request More Details | [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments