N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-dinitrobenzamide
Formula:C15H9N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-dinitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C15H9N5O5 |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)cc1 |
| InChI | InChI=1S/C15H9N5O5/c16-8-10-1-3-11(4-2-10)9-17-18-15(21)12-5-13(19(22)23)7-14(6-12)20(24)25/h1-7,9H,(H,18,21) |
| InChIK | PFOKAOIDGXNPTB-UHFFFAOYSA-N |
| TotalMolweight | 339.266 |
| Molweight | 339.266 |
| MonoisotopicMass | 339.06037 |
| CLogP | 1.194 |
| CLogS | -5.414 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 256.04 |
| Relative PSA | 0.43122 |
| PolarSurfaceArea | 156.89 |
| Druglikeness | -5.033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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