[(Z)-(4-chlorophenyl)methylideneamino] 3-nitrobenzoate
Formula:C14H9N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(4-chlorophenyl)methylideneamino] 3-nitrobenzoate is a drug-like molecule.
| MolName | [(Z)-(4-chlorophenyl)methylideneamino] 3-nitrobenzoate |
| MolecularFormula | C14H9N2O4Cl |
| Smiles | [O-][N+](c1cccc(C(O/N=C\c(cc2)ccc2Cl)=O)c1)=O |
| InChI | InChI=1S/C14H9ClN2O4/c15-12-6-4-10(5-7-12)9-16-21-14(18)11-2-1-3-13(8-11)17(19)20/h1-9H |
| InChIK | MWGPVNLCAQLRJO-UHFFFAOYSA-N |
| TotalMolweight | 304.688 |
| Molweight | 304.688 |
| MonoisotopicMass | 304.025085 |
| CLogP | 3.6025 |
| CLogS | -4.967 |
| H Acceptors | 6 |
| TotalSurfaceArea | 224.62 |
| Relative PSA | 0.28924 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -8.3738 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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