N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Molecular Formula : C20H18N4O7 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide is not a drug-like molecule.
MolName : N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide |
MolecularFormula : C20H18N4O7 |
Smiles : [O-][N+](c(cc1)ccc1C(N/C(/C(N1CCOCC1)=O)=C\c1cccc([N+]([O-])=O)c1)=O)=O |
InChI : InChI=1S/C20H18N4O7/c25-19(15-4-6-16(7-5-15)23(27)28)21-18(20(26)22-8-10-31-11-9-22)13-14-2-1-3-17(12-14)24(29)30/h1-7,12-13H,8-11H2,(H,21,25) |
InChIK : MKMKJRYAVRPJHY-UHFFFAOYSA-N |
TotalMolweight : 426.384 |
Molweight : 426.384 |
MonoisotopicMass : 426.117551 |
CLogP : 1.1074 |
CLogS : -3.991 |
H Acceptors : 11 |
H Donors : 1 |
TotalSurfaceArea : 313.87 |
Relative PSA : 0.35661 |
PolarSurfaceArea : 150.28 |
Druglikeness : -0.18447 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.48387 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amides : 2 |
AcidicOxygens : 2 |
StereoCon : |