(Z)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine
Formula:C15H15N5O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine |
| MolecularFormula | C15H15N5O3S |
| Smiles | [O-][N+](c(cc(/C=N\N1CCOCC1)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C15H15N5O3S/c21-20(22)13-10-12(11-18-19-6-8-23-9-7-19)2-3-14(13)24-15-16-4-1-5-17-15/h1-5,10-11H,6-9H2 |
| InChIK | AWVCPLHNCIFHFO-UHFFFAOYSA-N |
| TotalMolweight | 345.382 |
| Molweight | 345.382 |
| MonoisotopicMass | 345.08956 |
| CLogP | 1.0699 |
| CLogS | -2.842 |
| H Acceptors | 8 |
| TotalSurfaceArea | 258.3 |
| Relative PSA | 0.36744 |
| PolarSurfaceArea | 121.73 |
| Druglikeness | -2.0643 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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