N'-[(1S)-2,2-diphenylcyclopropanecarbonyl]-4-nitrobenzohydrazide
Formula:C23H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(1S)-2,2-diphenylcyclopropanecarbonyl]-4-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[(1S)-2,2-diphenylcyclopropanecarbonyl]-4-nitrobenzohydrazide |
| MolecularFormula | C23H19N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC([C@@H](C1)C1(c1ccccc1)c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C23H19N3O4/c27-21(16-11-13-19(14-12-16)26(29)30)24-25-22(28)20-15-23(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2,(H,24,27)(H,25,28)/t20-/m1/s1 |
| InChIK | IKYIAFOQPOYKDL-HXUWFJFHSA-N |
| TotalMolweight | 401.421 |
| Molweight | 401.421 |
| MonoisotopicMass | 401.137557 |
| CLogP | 2.3022 |
| CLogS | -4.751 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 298.04 |
| Relative PSA | 0.26647 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -1.8661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - N'-[(1S)-2,2-diphenylcyclopropanecarbonyl]-4-nitrobenzohydrazide | 2 - N'-[(1S)-2,2-diphenylcyclopropanecarbonyl]-4-nitrobenzohydrazide
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