(E)-4-oxo-4-[(4-phenyloxan-4-yl)methylamino]but-2-enoate
Molecular Formula : C16H18NO4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-4-oxo-4-[(4-phenyloxan-4-yl)methylamino]but-2-enoate is a drug-like molecule.
MolName : (E)-4-oxo-4-[(4-phenyloxan-4-yl)methylamino]but-2-enoate |
MolecularFormula : C16H18NO4 |
Smiles : [O-]C(/C=C/C(NCC1(CCOCC1)c1ccccc1)=O)=O |
InChI : InChI=1S/C16H19NO4/c18-14(6-7-15(19)20)17-12-16(8-10-21-11-9-16)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,17,18)(H,19,20)/p-1 |
InChIK : CHASDOOQJXSCFY-UHFFFAOYSA-M |
TotalMolweight : 288.322 |
Molweight : 288.322 |
MonoisotopicMass : 288.123584 |
CLogP : -1.2076 |
CLogS : -2.337 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 229.96 |
Relative PSA : 0.26883 |
PolarSurfaceArea : 78.46 |
Druglikeness : -2.3567 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |