4-[(Z)-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]methyl]-N,N-bis(2-chloroethyl)aniline
Formula:C22H26N4Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]methyl]-N,N-bis(2-chloroethyl)aniline is not a drug-like molecule.
| MolName | 4-[(Z)-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]methyl]-N,N-bis(2-chloroethyl)aniline |
| MolecularFormula | C22H26N4Cl4 |
| Smiles | ClCCN(CCCl)c1ccc(/C=N\N=C/c(cc2)ccc2N(CCCl)CCCl)cc1 |
| InChI | InChI=1S/C22H26Cl4N4/c23-9-13-29(14-10-24)21-5-1-19(2-6-21)17-27-28-18-20-3-7-22(8-4-20)30(15-11-25)16-12-26/h1-8,17-18H,9-16H2 |
| InChIK | HQJWFFOHXOAQGJ-UHFFFAOYSA-N |
| TotalMolweight | 488.288 |
| Molweight | 488.288 |
| MonoisotopicMass | 486.091154 |
| CLogP | 7.1208 |
| CLogS | -7.008 |
| H Acceptors | 4 |
| TotalSurfaceArea | 374.9 |
| Relative PSA | 0.080341 |
| PolarSurfaceArea | 31.2 |
| Druglikeness | 5.5162 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 13 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 20 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - 4-[(Z)-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]methyl]-N,N-bis(2-chloroethyl)aniline | 2 - 4-[(Z)-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylidenehydrazinylidene]methyl]-N,N-bis(2-chloroethyl)aniline
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