Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

MolName : 4-fluoro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide

MolecularFormula : C19H11N4O4FS2

Smiles : [O-][N+](c(cc1)cc2c1nc(Sc1ccc(/C=N\NC(c(cc3)ccc3F)=O)o1)s2)=O

InChI : InChI=1S/C19H11FN4O4S2/c20-12-3-1-11(2-4-12)18(25)23-21-10-14-6-8-17(28-14)30-19-22-15-7-5-13(24(26)27)9-16(15)29-19/h1-10H,(H,23,25)

InChIK : UTOXGZQWUOMUIS-UHFFFAOYSA-N

TotalMolweight : 442.45

Molweight : 442.45

MonoisotopicMass : 442.020574

CLogP : 3.9899

CLogS : -6.562

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 313.25

Relative PSA : 0.41296

PolarSurfaceArea : 166.85

Druglikeness : 0.27751

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 20

Sp3Atoms : 2

Symmetricatoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :