N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-nitrobenzamide
Molecular Formula : C16H13N3O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.
MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-nitrobenzamide |
MolecularFormula : C16H13N3O5 |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)cc2c1OCCO2)=O)=O |
InChI : InChI=1S/C16H13N3O5/c20-16(12-2-4-13(5-3-12)19(21)22)18-17-10-11-1-6-14-15(9-11)24-8-7-23-14/h1-6,9-10H,7-8H2,(H,18,20) |
InChIK : NDRMWYCVTVSCAR-UHFFFAOYSA-N |
TotalMolweight : 327.295 |
Molweight : 327.295 |
MonoisotopicMass : 327.085522 |
CLogP : 2.2588 |
CLogS : -4.363 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 244.68 |
Relative PSA : 0.35324 |
PolarSurfaceArea : 105.74 |
Druglikeness : -7.9957 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |