MolName : N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
MolecularFormula : C18H17N3O5 |
Smiles : Oc1cccc(/C=N\NC(CNC(c(cc2)cc3c2OCCO3)=O)=O)c1 |
InChI : InChI=1S/C18H17N3O5/c22-14-3-1-2-12(8-14)10-20-21-17(23)11-19-18(24)13-4-5-15-16(9-13)26-7-6-25-15/h1-5,8-10,22H,6-7,11H2,(H,19,24)(H,21,23) |
InChIK : HXFTVDCKJWBHJV-UHFFFAOYSA-N |
TotalMolweight : 355.349 |
Molweight : 355.349 |
MonoisotopicMass : 355.116822 |
CLogP : 1.9184 |
CLogS : -3.374 |
H Acceptors : 8 |
H Donors : 3 |
TotalSurfaceArea : 270.33 |
Relative PSA : 0.34628 |
PolarSurfaceArea : 109.25 |
Druglikeness : -1.8562 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.65385 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Amides : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |