N-[(Z)-(4-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Molecular Formula : C18H16N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(4-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
MolName : N-[(Z)-(4-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
MolecularFormula : C18H16N2O4 |
Smiles : O=C(C1=COCCO1)N/N=C\c(cc1)ccc1Oc1ccccc1 |
InChI : InChI=1S/C18H16N2O4/c21-18(17-13-22-10-11-23-17)20-19-12-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,20,21) |
InChIK : GJEUJBBZGZLVDI-UHFFFAOYSA-N |
TotalMolweight : 324.335 |
Molweight : 324.335 |
MonoisotopicMass : 324.111008 |
CLogP : 2.3097 |
CLogS : -5.168 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 255.72 |
Relative PSA : 0.25813 |
PolarSurfaceArea : 69.15 |
Druglikeness : -2.7823 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.70833 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
StereoCon : |