4-nitro-N-[(Z)-(3-phenylinden-1-ylidene)amino]aniline
Formula:C21H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-nitro-N-[(Z)-(3-phenylinden-1-ylidene)amino]aniline is not a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(3-phenylinden-1-ylidene)amino]aniline |
| MolecularFormula | C21H15N3O2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C1\c(cccc2)c2C(c2ccccc2)=C1)=O |
| InChI | InChI=1S/C21H15N3O2/c25-24(26)17-12-10-16(11-13-17)22-23-21-14-20(15-6-2-1-3-7-15)18-8-4-5-9-19(18)21/h1-14,22H |
| InChIK | WMBINHUNUIBDMJ-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 5.5843 |
| CLogS | -5.628 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 262.09 |
| Relative PSA | 0.20371 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -3.6672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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