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C19H13N2O3Cl3 | Cheminformatics
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N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

Molecular Formula : C19H13N2O3Cl3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is not a drug-like molecule.

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

MolecularFormula : C19H13N2O3Cl3

Smiles : O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1ccc(-c(cc2)ccc2Cl)o1

InChI : InChI=1S/C19H13Cl3N2O3/c20-13-3-1-12(2-4-13)17-8-6-15(27-17)10-23-24-19(25)11-26-18-7-5-14(21)9-16(18)22/h1-10H,11H2,(H,24,25)

InChIK : DLHCWBBSWLRSMK-UHFFFAOYSA-N

TotalMolweight : 423.682

Molweight : 423.682

MonoisotopicMass : 421.999174

CLogP : 5.5334

CLogS : -7.169

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 306.46

Relative PSA : 0.19618

PolarSurfaceArea : 63.83

Druglikeness : 6.4337

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

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

Shape Index : 0.7037

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Symmetricatoms : 2

StereoCon :

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