2-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylaniline
Formula:C16H17N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylaniline is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylaniline |
| MolecularFormula | C16H17N5O4S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCCC2)(=O)=O)c1N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C16H17N5O4S/c22-21(23)16-10-14(26(24,25)20-8-1-2-9-20)5-6-15(16)19-18-12-13-4-3-7-17-11-13/h3-7,10-12,19H,1-2,8-9H2 |
| InChIK | OYQLOEIKQRNNFZ-UHFFFAOYSA-N |
| TotalMolweight | 375.408 |
| Molweight | 375.408 |
| MonoisotopicMass | 375.100125 |
| CLogP | 2.7832 |
| CLogS | -2.639 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 272.09 |
| Relative PSA | 0.35463 |
| PolarSurfaceArea | 128.86 |
| Druglikeness | -3.4167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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