[(E)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]-triphenylphosphanium
Molecular Formula : C32H30N2O3P | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[(E)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]-triphenylphosphanium is not a drug-like molecule.
MolName : [(E)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]-triphenylphosphanium |
MolecularFormula : C32H30N2O3P |
Smiles : O=C(/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1 |
InChI : InChI=1S/C32H29N2O3P/c35-31(26-13-5-1-6-14-26)33-30(32(36)34-21-23-37-24-22-34)25-38(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,25H,21-24H2/p+1 |
InChIK : VYLTWJDMFSEYDQ-UHFFFAOYSA-O |
TotalMolweight : 521.575 |
Molweight : 521.575 |
MonoisotopicMass : 521.199405 |
CLogP : 5.9861 |
CLogS : -6.478 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 399.55 |
Relative PSA : 0.12787 |
PolarSurfaceArea : 58.64 |
Druglikeness : -3.6937 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : phosphonium |
Shape Index : 0.34211 |
Fragments : 1 |
Non HAtoms : 38 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 7 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 24 |
Sp3Atoms : 6 |
Symmetricatoms : 18 |
Amides : 2 |
StereoCon : |