MolName : (E)-N-[2-(morpholine-4-carbonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide |
MolecularFormula : C20H19N3O5 |
Smiles : [O-][N+](c1c(/C=C/C(Nc(cccc2)c2C(N2CCOCC2)=O)=O)cccc1)=O |
InChI : InChI=1S/C20H19N3O5/c24-19(10-9-15-5-1-4-8-18(15)23(26)27)21-17-7-3-2-6-16(17)20(25)22-11-13-28-14-12-22/h1-10H,11-14H2,(H,21,24) |
InChIK : AUYFYRXXUYTZLN-UHFFFAOYSA-N |
TotalMolweight : 381.387 |
Molweight : 381.387 |
MonoisotopicMass : 381.132472 |
CLogP : 1.889 |
CLogS : -3.668 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 291.99 |
Relative PSA : 0.27915 |
PolarSurfaceArea : 104.46 |
Druglikeness : -3.097 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.53571 |
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 : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |