4-chloro-2-nitro-6-[(Z)-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate

Formula:C11H7N7O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-chloro-2-nitro-6-[(Z)-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate is not a drug-like molecule.

MolName	4-chloro-2-nitro-6-[(Z)-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate
MolecularFormula	C11H7N7O6Cl
Smiles	[O-]c(c(/C=N\NC(Cn(cn1)nc1[N+]([O-])=O)=O)cc(Cl)c1)c1[N+]([O-])=O
InChI	InChI=1S/C11H8ClN7O6/c12-7-1-6(10(21)8(2-7)18(22)23)3-14-15-9(20)4-17-5-13-11(16-17)19(24)25/h1-3,5,21H,4H2,(H,15,20)/p-1
InChIK	AXANLAATOSNVAI-UHFFFAOYSA-M
TotalMolweight	368.673
Molweight	368.673
MonoisotopicMass	368.014635
CLogP	-2.1566
CLogS	-3.963
H Acceptors	13
H Donors	1
TotalSurfaceArea	257.76
Relative PSA	0.54291
PolarSurfaceArea	186.87
Druglikeness	1.3494
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-chloro-2-nitro-6-[(Z)-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate | 2 - 4-chloro-2-nitro-6-[(Z)-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate

Request More Details | 4-chloro-2-nitro-6-[(Z)-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments