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

Formula:C20H14N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MolecularFormula	C20H14N2O4Cl2
Smiles	O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C20H14Cl2N2O4/c21-15-3-1-2-14(19(15)22)16-7-5-13(28-16)11-23-24-20(25)12-4-6-17-18(10-12)27-9-8-26-17/h1-7,10-11H,8-9H2,(H,24,25)
InChIK	CXRGJOIFARLROJ-UHFFFAOYSA-N
TotalMolweight	417.247
Molweight	417.247
MonoisotopicMass	416.033062
CLogP	5.3313
CLogS	-6.835
H Acceptors	6
H Donors	1
TotalSurfaceArea	301.3
Relative PSA	0.23272
PolarSurfaceArea	73.06
Druglikeness	-0.59822
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
StereoCon

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

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