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C20H15N2O4Cl | Cheminformatics
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N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C20H15N2O4Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

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

MolecularFormula : C20H15N2O4Cl

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(-c2cccc(Cl)c2)o1

InChI : InChI=1S/C20H15ClN2O4/c21-15-3-1-2-13(10-15)17-7-5-16(27-17)12-22-23-20(24)14-4-6-18-19(11-14)26-9-8-25-18/h1-7,10-12H,8-9H2,(H,23,24)

InChIK : RNMLVIZPAZOGGV-UHFFFAOYSA-N

TotalMolweight : 382.802

Molweight : 382.802

MonoisotopicMass : 382.072035

CLogP : 4.7253

CLogS : -6.099

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 285.88

Relative PSA : 0.24528

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 : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

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