[3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate

Formula:C23H17N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C23H17N2O5Cl
Smiles	O=C(c(cc1)cc2c1OCCO2)N/N=C\c1cccc(OC(c(cccc2)c2Cl)=O)c1
InChI	InChI=1S/C23H17ClN2O5/c24-19-7-2-1-6-18(19)23(28)31-17-5-3-4-15(12-17)14-25-26-22(27)16-8-9-20-21(13-16)30-11-10-29-20/h1-9,12-14H,10-11H2,(H,26,27)
InChIK	OPZFBMPSCVBRQU-UHFFFAOYSA-N
TotalMolweight	436.85
Molweight	436.85
MonoisotopicMass	436.0826
CLogP	5.2169
CLogS	-6.109
H Acceptors	7
H Donors	1
TotalSurfaceArea	323.94
Relative PSA	0.24403
PolarSurfaceArea	86.22
Druglikeness	-3.0419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
StereoCon

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1 - [3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate | 2 - [3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate

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