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C19H13N3O5Cl2 | Cheminformatics
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2-(2,5-dichlorophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Molecular Formula : C19H13N3O5Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
2-(2,5-dichlorophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName : 2-(2,5-dichlorophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

MolecularFormula : C19H13N3O5Cl2

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N/NC(COc(cc(cc2)Cl)c2Cl)=O)o1)=O

InChI : InChI=1S/C19H13Cl2N3O5/c20-13-3-7-16(21)18(9-13)28-11-19(25)23-22-10-15-6-8-17(29-15)12-1-4-14(5-2-12)24(26)27/h1-10H,11H2,(H,23,25)

InChIK : MROCWVXWUIRPSS-UHFFFAOYSA-N

TotalMolweight : 434.234

Molweight : 434.234

MonoisotopicMass : 433.023226

CLogP : 4.0058

CLogS : -6.893

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 314.71

Relative PSA : 0.28769

PolarSurfaceArea : 109.65

Druglikeness : 1.3799

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.65517

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 3

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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1 - 2-(2,5-dichlorophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
2 - 2-(2,5-dichlorophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
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