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N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline

Molecular Formula : C12H8N3O3F3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline is a drug-like molecule.

MolName : N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline

MolecularFormula : C12H8N3O3F3

Smiles : [O-][N+](c1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)o1)=O

InChI : InChI=1S/C12H8F3N3O3/c13-12(14,15)8-1-3-9(4-2-8)17-16-7-10-5-6-11(21-10)18(19)20/h1-7,17H

InChIK : VVJQFYWDALPKFA-UHFFFAOYSA-N

TotalMolweight : 299.208

Molweight : 299.208

MonoisotopicMass : 299.051776

CLogP : 4.3077

CLogS : -4.594

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 212.06

Relative PSA : 0.31831

PolarSurfaceArea : 83.35

Druglikeness : -6.2073

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon :

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