4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]benzoate
Molecular Formula : C17H13N2O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]benzoate is a drug-like molecule.
MolName : 4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]benzoate |
MolecularFormula : C17H13N2O5 |
Smiles : [O-]C(c1ccc(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cc1)=O |
InChI : InChI=1S/C17H14N2O5/c20-16(13-5-6-14-15(9-13)24-8-7-23-14)19-18-10-11-1-3-12(4-2-11)17(21)22/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22)/p-1 |
InChIK : REDXWVFLODFVJW-UHFFFAOYSA-M |
TotalMolweight : 325.299 |
Molweight : 325.299 |
MonoisotopicMass : 325.082448 |
CLogP : 0.5895 |
CLogS : -3.916 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 246.29 |
Relative PSA : 0.33834 |
PolarSurfaceArea : 100.05 |
Druglikeness : -2.811 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |