4-nitro-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
Formula:C17H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline |
| MolecularFormula | C17H18N4O2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)ccc1N1CCCC1)=O |
| InChI | InChI=1S/C17H18N4O2/c22-21(23)17-9-5-15(6-10-17)19-18-13-14-3-7-16(8-4-14)20-11-1-2-12-20/h3-10,13,19H,1-2,11-12H2 |
| InChIK | PXWGVJUYFWVCNP-UHFFFAOYSA-N |
| TotalMolweight | 310.356 |
| Molweight | 310.356 |
| MonoisotopicMass | 310.142976 |
| CLogP | 4.4103 |
| CLogS | -4.331 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 244.75 |
| Relative PSA | 0.23265 |
| PolarSurfaceArea | 73.45 |
| Druglikeness | -1.0912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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