N-[(Z)-[2-(5-chloro-2,4-dinitrophenyl)-1,2-diphenylethylidene]amino]aniline
Formula:C26H19N4O4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(5-chloro-2,4-dinitrophenyl)-1,2-diphenylethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-(5-chloro-2,4-dinitrophenyl)-1,2-diphenylethylidene]amino]aniline |
| MolecularFormula | C26H19N4O4Cl |
| Smiles | [O-][N+](c(c(C(/C(/c1ccccc1)=N/Nc1ccccc1)c1ccccc1)c1)cc([N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C26H19ClN4O4/c27-22-16-21(23(30(32)33)17-24(22)31(34)35)25(18-10-4-1-5-11-18)26(19-12-6-2-7-13-19)29-28-20-14-8-3-9-15-20/h1-17,25,28H/t25-/m0/s1 |
| InChIK | XXNAKTXODGMKEG-VWLOTQADSA-N |
| TotalMolweight | 486.914 |
| Molweight | 486.914 |
| MonoisotopicMass | 486.109483 |
| CLogP | 6.5111 |
| CLogS | -7.449 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 362.23 |
| Relative PSA | 0.23137 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -3.7282 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[2-(5-chloro-2,4-dinitrophenyl)-1,2-diphenylethylidene]amino]aniline | 2 - N-[(Z)-[2-(5-chloro-2,4-dinitrophenyl)-1,2-diphenylethylidene]amino]aniline
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