(1E)-2-morpholin-4-yl-N-(2-nitrophenyl)-2-oxoethanehydrazonoyl chloride
Molecular Formula : C12H13N4O4Cl | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |(1E)-2-morpholin-4-yl-N-(2-nitrophenyl)-2-oxoethanehydrazonoyl chloride is a drug-like molecule.
MolName : (1E)-2-morpholin-4-yl-N-(2-nitrophenyl)-2-oxoethanehydrazonoyl chloride |
MolecularFormula : C12H13N4O4Cl |
Smiles : [O-][N+](c(cccc1)c1N/N=C(\C(N1CCOCC1)=O)/Cl)=O |
InChI : InChI=1S/C12H13ClN4O4/c13-11(12(18)16-5-7-21-8-6-16)15-14-9-3-1-2-4-10(9)17(19)20/h1-4,14H,5-8H2 |
InChIK : NMAAPZJKHAQJDF-UHFFFAOYSA-N |
TotalMolweight : 312.712 |
Molweight : 312.712 |
MonoisotopicMass : 312.062533 |
CLogP : 1.3221 |
CLogS : -1.376 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 226.37 |
Relative PSA : 0.35332 |
PolarSurfaceArea : 99.75 |
Druglikeness : -1.6994 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-halogenide type; aromatic nitro |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |