[3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H17N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.

MolName	[3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H17N2O6Cl
Smiles	O=C(COc1cccc(Cl)c1)N/N=C\c1cc(OC(c(cc2)cc3c2OCO3)=O)ccc1
InChI	InChI=1S/C23H17ClN2O6/c24-17-4-2-5-18(11-17)29-13-22(27)26-25-12-15-3-1-6-19(9-15)32-23(28)16-7-8-20-21(10-16)31-14-30-20/h1-12H,13-14H2,(H,26,27)
InChIK	AQSLXPJKAFICOM-UHFFFAOYSA-N
TotalMolweight	452.849
Molweight	452.849
MonoisotopicMass	452.077515
CLogP	4.9244
CLogS	-6.418
H Acceptors	8
H Donors	1
TotalSurfaceArea	333.94
Relative PSA	0.26666
PolarSurfaceArea	95.45
Druglikeness	3.9914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
StereoCon

Click to Load Molecule:

1 - [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Request More Details | [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments