[(E)-[morpholin-4-yl-(4-nitrophenyl)methylidene]amino] benzoate
Molecular Formula : C18H17N3O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[morpholin-4-yl-(4-nitrophenyl)methylidene]amino] benzoate is a drug-like molecule.
MolName : [(E)-[morpholin-4-yl-(4-nitrophenyl)methylidene]amino] benzoate |
MolecularFormula : C18H17N3O5 |
Smiles : [O-][N+](c(cc1)ccc1/C(/N1CCOCC1)=N\OC(c1ccccc1)=O)=O |
InChI : InChI=1S/C18H17N3O5/c22-18(15-4-2-1-3-5-15)26-19-17(20-10-12-25-13-11-20)14-6-8-16(9-7-14)21(23)24/h1-9H,10-13H2 |
InChIK : KGCYWKKDAFEFMV-UHFFFAOYSA-N |
TotalMolweight : 355.349 |
Molweight : 355.349 |
MonoisotopicMass : 355.116822 |
CLogP : 2.7375 |
CLogS : -3.617 |
H Acceptors : 8 |
TotalSurfaceArea : 269.25 |
Relative PSA : 0.29162 |
PolarSurfaceArea : 96.95 |
Druglikeness : -5.7524 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.53846 |
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 : 7 |
Symmetricatoms : 6 |
AcidicOxygens : 1 |
StereoCon : |