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C19H14N3O5Cl | Cheminformatics
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2-(4-chlorophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Molecular Formula : C19H14N3O5Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
2-(4-chlorophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName : 2-(4-chlorophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

MolecularFormula : C19H14N3O5Cl

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(COc(cc2)ccc2Cl)=O)o1)=O

InChI : InChI=1S/C19H14ClN3O5/c20-14-3-7-16(8-4-14)27-12-19(24)22-21-11-17-9-10-18(28-17)13-1-5-15(6-2-13)23(25)26/h1-11H,12H2,(H,22,24)

InChIK : RMIIZJWMYGDFDF-UHFFFAOYSA-N

TotalMolweight : 399.789

Molweight : 399.789

MonoisotopicMass : 399.062199

CLogP : 3.3998

CLogS : -6.157

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 299.29

Relative PSA : 0.30252

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 : 0.71429

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 3

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon :

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1 - 2-(4-chlorophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
2 - 2-(4-chlorophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
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