2-[2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C17H13N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormula	C17H13N3O7Cl
Smiles	[O-]C(COc1c(/C=N\NC(COc(ccc(Cl)c2)c2[N+]([O-])=O)=O)cccc1)=O
InChI	InChI=1S/C17H14ClN3O7/c18-12-5-6-15(13(7-12)21(25)26)27-9-16(22)20-19-8-11-3-1-2-4-14(11)28-10-17(23)24/h1-8H,9-10H2,(H,20,22)(H,23,24)/p-1
InChIK	JJLJCRCAUZPAJH-UHFFFAOYSA-M
TotalMolweight	406.757
Molweight	406.757
MonoisotopicMass	406.044204
CLogP	-0.5551
CLogS	-4.49
H Acceptors	10
H Donors	1
TotalSurfaceArea	298.88
Relative PSA	0.38059
PolarSurfaceArea	145.87
Druglikeness	-0.79805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2-[2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

Request More Details | 2-[2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments