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C30H22N2O7 | Cheminformatics

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

Molecular Formula : C30H22N2O7 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[2-benzoyloxy-4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.

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

MolecularFormula : C30H22N2O7

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)cc(OC(c2ccccc2)=O)c1OC(c1ccccc1)=O

InChI : InChI=1S/C30H22N2O7/c33-28(23-12-14-24-26(18-23)37-16-15-36-24)32-31-19-20-11-13-25(38-29(34)21-7-3-1-4-8-21)27(17-20)39-30(35)22-9-5-2-6-10-22/h1-14,17-19H,15-16H2,(H,32,33)

InChIK : IJZQJUDYZGMYGX-UHFFFAOYSA-N

TotalMolweight : 522.512

Molweight : 522.512

MonoisotopicMass : 522.142703

CLogP : 6.0414

CLogS : -6.843

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 396.03

Relative PSA : 0.25778

PolarSurfaceArea : 112.52

Druglikeness : -3.0943

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.51282

Fragments : 1

Non HAtoms : 39

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 9

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 6

Symmetricatoms : 4

StereoCon :

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