(E)-3-(4-hydroxy-3-iodophenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
Molecular Formula : C14H13N2O3I | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(4-hydroxy-3-iodophenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile is a drug-like molecule.
MolName : (E)-3-(4-hydroxy-3-iodophenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile |
MolecularFormula : C14H13N2O3I |
Smiles : N#C/C(/C(N1CCOCC1)=O)=C\c(cc1)cc(I)c1O |
InChI : InChI=1S/C14H13IN2O3/c15-12-8-10(1-2-13(12)18)7-11(9-16)14(19)17-3-5-20-6-4-17/h1-2,7-8,18H,3-6H2 |
InChIK : GZXMXHTUMIXBSM-UHFFFAOYSA-N |
TotalMolweight : 384.168 |
Molweight : 384.168 |
MonoisotopicMass : 383.997091 |
CLogP : 1.6065 |
CLogS : -2.688 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 231.9 |
Relative PSA : 0.22962 |
PolarSurfaceArea : 73.56 |
Druglikeness : -0.1175 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : twice activated DB |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |