N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]cyclopropanecarboxamide
Formula:C15H13N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C15H13N5O3S |
| Smiles | [O-][N+](c(cc(/C=N\NC(C1CC1)=O)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C15H13N5O3S/c21-14(11-3-4-11)19-18-9-10-2-5-13(12(8-10)20(22)23)24-15-16-6-1-7-17-15/h1-2,5-9,11H,3-4H2,(H,19,21) |
| InChIK | IEAXCRBDCKPOLC-UHFFFAOYSA-N |
| TotalMolweight | 343.366 |
| Molweight | 343.366 |
| MonoisotopicMass | 343.07391 |
| CLogP | 1.6543 |
| CLogS | -4.078 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 252.19 |
| Relative PSA | 0.41976 |
| PolarSurfaceArea | 138.36 |
| Druglikeness | 0.81088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]cyclopropanecarboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off