N'-[1-(4-nitrophenyl)ethenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
Formula:C19H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[1-(4-nitrophenyl)ethenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide is a drug-like molecule.
| MolName | N'-[1-(4-nitrophenyl)ethenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide |
| MolecularFormula | C19H20N4O5S |
| Smiles | C=C(c(cc1)ccc1[N+]([O-])=O)NNC(c1cccc(S(N2CCCC2)(=O)=O)c1)=O |
| InChI | InChI=1S/C19H20N4O5S/c1-14(15-7-9-17(10-8-15)23(25)26)20-21-19(24)16-5-4-6-18(13-16)29(27,28)22-11-2-3-12-22/h4-10,13,20H,1-3,11-12H2,(H,21,24) |
| InChIK | TUALURFYZZVLLH-UHFFFAOYSA-N |
| TotalMolweight | 416.457 |
| Molweight | 416.457 |
| MonoisotopicMass | 416.115441 |
| CLogP | 1.0735 |
| CLogS | -3.92 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 300.53 |
| Relative PSA | 0.32779 |
| PolarSurfaceArea | 132.71 |
| Druglikeness | -14.01 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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