N,N-bis(2-chloroethyl)-4-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]aniline
Formula:C24H21N3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N,N-bis(2-chloroethyl)-4-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]aniline is not a drug-like molecule.
| MolName | N,N-bis(2-chloroethyl)-4-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]aniline |
| MolecularFormula | C24H21N3Cl2 |
| Smiles | ClCCN(CCCl)c1ccc(/C=N\N=C2c(cccc3)c3-c3c2cccc3)cc1 |
| InChI | InChI=1S/C24H21Cl2N3/c25-13-15-29(16-14-26)19-11-9-18(10-12-19)17-27-28-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17H,13-16H2 |
| InChIK | YXFQYPVWHAJEMU-UHFFFAOYSA-N |
| TotalMolweight | 422.358 |
| Molweight | 422.358 |
| MonoisotopicMass | 421.111251 |
| CLogP | 7.5362 |
| CLogS | -8.346 |
| H Acceptors | 3 |
| TotalSurfaceArea | 323.19 |
| Relative PSA | 0.082212 |
| PolarSurfaceArea | 27.96 |
| Druglikeness | 5.63 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N,N-bis(2-chloroethyl)-4-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]aniline | 2 - N,N-bis(2-chloroethyl)-4-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off