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C17H13N2O5Cl | Cheminformatics

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

Molecular 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 :

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