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C23H17N2O5F | Cheminformatics

[3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate

Molecular Formula : C23H17N2O5F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.

MolName : [3-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate

MolecularFormula : C23H17N2O5F

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1cccc(OC(c2cccc(F)c2)=O)c1

InChI : InChI=1S/C23H17FN2O5/c24-18-5-2-4-17(12-18)23(28)31-19-6-1-3-15(11-19)14-25-26-22(27)16-7-8-20-21(13-16)30-10-9-29-20/h1-8,11-14H,9-10H2,(H,26,27)

InChIK : ZSTKXECZPJQODN-UHFFFAOYSA-N

TotalMolweight : 420.395

Molweight : 420.395

MonoisotopicMass : 420.112151

CLogP : 4.7117

CLogS : -5.687

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 314.87

Relative PSA : 0.25106

PolarSurfaceArea : 86.22

Druglikeness : -4.4343

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 5

StereoCon :

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