N,N-bis(2-chloroethyl)-4-[(Z)-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]methyl]aniline
Formula:C17H18N4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N,N-bis(2-chloroethyl)-4-[(Z)-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]methyl]aniline is a drug-like molecule.
| MolName | N,N-bis(2-chloroethyl)-4-[(Z)-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]methyl]aniline |
| MolecularFormula | C17H18N4Cl2 |
| Smiles | ClCCN(CCCl)c1ccc(/C=N\N=C/c2ccncc2)cc1 |
| InChI | InChI=1S/C17H18Cl2N4/c18-7-11-23(12-8-19)17-3-1-15(2-4-17)13-21-22-14-16-5-9-20-10-6-16/h1-6,9-10,13-14H,7-8,11-12H2 |
| InChIK | IDJFBYDCPMBPTE-UHFFFAOYSA-N |
| TotalMolweight | 349.264 |
| Molweight | 349.264 |
| MonoisotopicMass | 348.09085 |
| CLogP | 4.9523 |
| CLogS | -4.775 |
| H Acceptors | 4 |
| TotalSurfaceArea | 277.48 |
| Relative PSA | 0.13529 |
| PolarSurfaceArea | 40.85 |
| Druglikeness | 5.5162 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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