N,N-bis(2-chloroethyl)-4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]aniline
Formula:C17H18N3Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N,N-bis(2-chloroethyl)-4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]aniline is not a drug-like molecule.
| MolName | N,N-bis(2-chloroethyl)-4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]aniline |
| MolecularFormula | C17H18N3Cl2F |
| Smiles | Fc(cc1)ccc1N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C17H18Cl2FN3/c18-9-11-23(12-10-19)17-7-1-14(2-8-17)13-21-22-16-5-3-15(20)4-6-16/h1-8,13,22H,9-12H2 |
| InChIK | JSWWIKQZMMDINF-UHFFFAOYSA-N |
| TotalMolweight | 354.255 |
| Molweight | 354.255 |
| MonoisotopicMass | 353.086179 |
| CLogP | 6.1093 |
| CLogS | -4.901 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.77 |
| Relative PSA | 0.097583 |
| PolarSurfaceArea | 27.63 |
| Druglikeness | 4.4389 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | 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 |
| StereoCon |
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