N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide
Molecular Formula : C9H10N4O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide is a drug-like molecule.
MolName : N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide |
MolecularFormula : C9H10N4O5 |
Smiles : [O-][N+](c1ccc(C(NNC2=NCCOC2)=O)o1)=O |
InChI : InChI=1S/C9H10N4O5/c14-9(6-1-2-8(18-6)13(15)16)12-11-7-5-17-4-3-10-7/h1-2H,3-5H2,(H,10,11)(H,12,14) |
InChIK : DXZZCUXKJCZBBN-UHFFFAOYSA-N |
TotalMolweight : 254.201 |
Molweight : 254.201 |
MonoisotopicMass : 254.065121 |
CLogP : -2.0469 |
CLogS : -2.63 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 188.04 |
Relative PSA : 0.54244 |
PolarSurfaceArea : 121.68 |
Druglikeness : -1.3731 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 5 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |