[(Z)-[4-(4-chlorophenoxy)-3-nitrophenyl]methylideneamino] benzoate
Formula:C20H13N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[4-(4-chlorophenoxy)-3-nitrophenyl]methylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-[4-(4-chlorophenoxy)-3-nitrophenyl]methylideneamino] benzoate |
| MolecularFormula | C20H13N2O5Cl |
| Smiles | [O-][N+](c(cc(/C=N\OC(c1ccccc1)=O)cc1)c1Oc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H13ClN2O5/c21-16-7-9-17(10-8-16)27-19-11-6-14(12-18(19)23(25)26)13-22-28-20(24)15-4-2-1-3-5-15/h1-13H |
| InChIK | ATMAUTKGCPGWCK-UHFFFAOYSA-N |
| TotalMolweight | 396.785 |
| Molweight | 396.785 |
| MonoisotopicMass | 396.0513 |
| CLogP | 4.9981 |
| CLogS | -7.264 |
| H Acceptors | 7 |
| TotalSurfaceArea | 294.38 |
| Relative PSA | 0.25467 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -8.3429 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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