N'-(2-cyclopentylacetyl)-4-nitrobenzohydrazide
Formula:C14H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(2-cyclopentylacetyl)-4-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-(2-cyclopentylacetyl)-4-nitrobenzohydrazide |
| MolecularFormula | C14H17N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(CC1CCCC1)=O)=O)=O |
| InChI | InChI=1S/C14H17N3O4/c18-13(9-10-3-1-2-4-10)15-16-14(19)11-5-7-12(8-6-11)17(20)21/h5-8,10H,1-4,9H2,(H,15,18)(H,16,19) |
| InChIK | FEAZEAYMLBJBEX-UHFFFAOYSA-N |
| TotalMolweight | 291.306 |
| Molweight | 291.306 |
| MonoisotopicMass | 291.121907 |
| CLogP | 0.7087 |
| CLogS | -3.926 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 223.15 |
| Relative PSA | 0.3559 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -5.2248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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