N'-benzoyl-2-chloro-5-nitrobenzohydrazide
Formula:C14H10N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-benzoyl-2-chloro-5-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-benzoyl-2-chloro-5-nitrobenzohydrazide |
| MolecularFormula | C14H10N3O4Cl |
| Smiles | [O-][N+](c(cc1)cc(C(NNC(c2ccccc2)=O)=O)c1Cl)=O |
| InChI | InChI=1S/C14H10ClN3O4/c15-12-7-6-10(18(21)22)8-11(12)14(20)17-16-13(19)9-4-2-1-3-5-9/h1-8H,(H,16,19)(H,17,20) |
| InChIK | NZQOLFJKEMTMRB-UHFFFAOYSA-N |
| TotalMolweight | 319.703 |
| Molweight | 319.703 |
| MonoisotopicMass | 319.035984 |
| CLogP | 1.302 |
| CLogS | -4.506 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 230.53 |
| Relative PSA | 0.34451 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -3.4271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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