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N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Molecular Formula : C17H14N5O4F3S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.

MolName : N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

MolecularFormula : C17H14N5O4F3S

Smiles : NS(c(cc1)ccc1-c1ccc(/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)o1)(=O)=O

InChI : InChI=1S/C17H14F3N5O4S/c18-17(19,20)15-7-8-25(24-15)10-16(26)23-22-9-12-3-6-14(29-12)11-1-4-13(5-2-11)30(21,27)28/h1-9H,10H2,(H,23,26)(H2,21,27,28)

InChIK : KRKQVIYCAMTUDT-UHFFFAOYSA-N

TotalMolweight : 441.389

Molweight : 441.389

MonoisotopicMass : 441.071859

CLogP : 1.3637

CLogS : -4.116

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 304.72

Relative PSA : 0.36693

PolarSurfaceArea : 140.96

Druglikeness : -2.3675

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 3

Symmetricatoms : 5

Amides : 1

Aromatic Nitrogens : 2

StereoCon :

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