N-[(Z)-[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylideneamino]-4-nitroaniline
Formula:C17H12N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylideneamino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylideneamino]-4-nitroaniline |
| MolecularFormula | C17H12N4O2Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c1cccn1-c1cc(Cl)cc(Cl)c1)=O |
| InChI | InChI=1S/C17H12Cl2N4O2/c18-12-8-13(19)10-17(9-12)22-7-1-2-16(22)11-20-21-14-3-5-15(6-4-14)23(24)25/h1-11,21H |
| InChIK | DIULPVIJKNXVRN-UHFFFAOYSA-N |
| TotalMolweight | 375.214 |
| Molweight | 375.214 |
| MonoisotopicMass | 374.03373 |
| CLogP | 5.3702 |
| CLogS | -7.418 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 272.71 |
| Relative PSA | 0.22097 |
| PolarSurfaceArea | 75.14 |
| Druglikeness | -1.512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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