3-chloro-N-[(Z)-[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylideneamino]aniline
Formula:C17H12N3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H12N3Cl3 |
| Smiles | Clc1cccc(N/N=C\c2cccn2-c2cc(Cl)cc(Cl)c2)c1 |
| InChI | InChI=1S/C17H12Cl3N3/c18-12-3-1-4-15(8-12)22-21-11-16-5-2-6-23(16)17-9-13(19)7-14(20)10-17/h1-11,22H |
| InChIK | DHXKJYKNQQYYDJ-UHFFFAOYSA-N |
| TotalMolweight | 364.662 |
| Molweight | 364.662 |
| MonoisotopicMass | 363.009678 |
| CLogP | 6.8978 |
| CLogS | -7.694 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 264.46 |
| Relative PSA | 0.11283 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | 3.7543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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