N-[(Z)-(2-chlorophenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
Formula:C14H10N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide |
| MolecularFormula | C14H10N3O4Cl |
| Smiles | [O-][N+](c(cc1)cc(C(N/N=C\c(cccc2)c2Cl)=O)c1O)=O |
| InChI | InChI=1S/C14H10ClN3O4/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-7-10(18(21)22)5-6-13(11)19/h1-8,19H,(H,17,20) |
| InChIK | LPSJKVLOSPLGKI-UHFFFAOYSA-N |
| TotalMolweight | 319.703 |
| Molweight | 319.703 |
| MonoisotopicMass | 319.035984 |
| CLogP | 2.5403 |
| CLogS | -4.621 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 232.43 |
| Relative PSA | 0.34217 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -0.7535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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