1-morpholin-4-yl-2-[4-(nitrosomethylidene)pyridin-1-yl]ethanone
Molecular Formula : C12H15N3O3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |1-morpholin-4-yl-2-[4-(nitrosomethylidene)pyridin-1-yl]ethanone is a drug-like molecule.
MolName : 1-morpholin-4-yl-2-[4-(nitrosomethylidene)pyridin-1-yl]ethanone |
MolecularFormula : C12H15N3O3 |
Smiles : O=C(CN(C=C1)C=CC1=CN=O)N1CCOCC1 |
InChI : InChI=1S/C12H15N3O3/c16-12(15-5-7-18-8-6-15)10-14-3-1-11(2-4-14)9-13-17/h1-4,9H,5-8,10H2 |
InChIK : MYJZAZYBNQJXMS-UHFFFAOYSA-N |
TotalMolweight : 249.269 |
Molweight : 249.269 |
MonoisotopicMass : 249.111342 |
CLogP : -1.2329 |
CLogS : -0.663 |
H Acceptors : 6 |
TotalSurfaceArea : 199.16 |
Relative PSA : 0.2746 |
PolarSurfaceArea : 62.21 |
Druglikeness : 2.2084 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : nitroso |
Shape Index : 0.72222 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amides : 1 |
BasicNitrogens : 1 |
StereoCon : |