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C23H16NO5FS | Cheminformatics
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4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide

Molecular Formula : C23H16NO5FS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName : 4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide

MolecularFormula : C23H16NO5FS

Smiles : NS(c(cc1)ccc1-c1ccc(/C=C/C(c2ccc(-c(cc3)ccc3F)o2)=O)o1)(=O)=O

InChI : InChI=1S/C23H16FNO5S/c24-17-5-1-15(2-6-17)22-13-14-23(30-22)20(26)11-7-18-8-12-21(29-18)16-3-9-19(10-4-16)31(25,27)28/h1-14H,(H2,25,27,28)

InChIK : XQDHMAMMFKEEAU-UHFFFAOYSA-N

TotalMolweight : 437.446

Molweight : 437.446

MonoisotopicMass : 437.073322

CLogP : 4.0464

CLogS : -6.973

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 319.62

Relative PSA : 0.26628

PolarSurfaceArea : 111.89

Druglikeness : 3.2322

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64516

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 1

Symmetricatoms : 5

Amides : 1

StereoCon :

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1 - 4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide
2 - 4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide
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