4-nitro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide
Formula:C18H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide |
| MolecularFormula | C18H14N4O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cccn1-c1ccccc1)=O)=O |
| InChI | InChI=1S/C18H14N4O3/c23-18(14-8-10-16(11-9-14)22(24)25)20-19-13-17-7-4-12-21(17)15-5-2-1-3-6-15/h1-13H,(H,20,23) |
| InChIK | CASCRCBNDZRCQY-UHFFFAOYSA-N |
| TotalMolweight | 334.334 |
| Molweight | 334.334 |
| MonoisotopicMass | 334.106591 |
| CLogP | 2.5189 |
| CLogS | -6.518 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.62 |
| Relative PSA | 0.28234 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 0.33254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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