N-[(E)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Molecular Formula : C20H19N3O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(E)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
MolName : N-[(E)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C20H19N3O5 |
Smiles : [O-][N+](c1cc(/C=C(\C(N2CCOCC2)=O)/NC(c2ccccc2)=O)ccc1)=O |
InChI : InChI=1S/C20H19N3O5/c24-19(16-6-2-1-3-7-16)21-18(20(25)22-9-11-28-12-10-22)14-15-5-4-8-17(13-15)23(26)27/h1-8,13-14H,9-12H2,(H,21,24) |
InChIK : XQVHCJKNHWRVRI-UHFFFAOYSA-N |
TotalMolweight : 381.387 |
Molweight : 381.387 |
MonoisotopicMass : 381.132472 |
CLogP : 2.029 |
CLogS : -3.531 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 290.2 |
Relative PSA : 0.28088 |
PolarSurfaceArea : 104.46 |
Druglikeness : -0.18447 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.46429 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |