N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Formula:C17H13N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MolecularFormula	C17H13N2O5Cl
Smiles	O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C17H13ClN2O5/c18-12-7-16-15(24-9-25-16)6-11(12)8-19-20-17(21)10-1-2-13-14(5-10)23-4-3-22-13/h1-2,5-8H,3-4,9H2,(H,20,21)
InChIK	PHMLBQFRUYRQSN-UHFFFAOYSA-N
TotalMolweight	360.752
Molweight	360.752
MonoisotopicMass	360.0513
CLogP	3.8978
CLogS	-5.35
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.69
Relative PSA	0.29612
PolarSurfaceArea	78.38
Druglikeness	-2.887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Request More Details | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments