1-N,3-N-bis[(Z)-(4-chlorophenyl)methylideneamino]-5-nitrobenzene-1,3-dicarboxamide
Formula:C22H15N5O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-N,3-N-bis[(Z)-(4-chlorophenyl)methylideneamino]-5-nitrobenzene-1,3-dicarboxamide is not a drug-like molecule.
| MolName | 1-N,3-N-bis[(Z)-(4-chlorophenyl)methylideneamino]-5-nitrobenzene-1,3-dicarboxamide |
| MolecularFormula | C22H15N5O4Cl2 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c(cc2)ccc2Cl)=O)cc(C(N/N=C\c(cc2)ccc2Cl)=O)c1)=O |
| InChI | InChI=1S/C22H15Cl2N5O4/c23-18-5-1-14(2-6-18)12-25-27-21(30)16-9-17(11-20(10-16)29(32)33)22(31)28-26-13-15-3-7-19(24)8-4-15/h1-13H,(H,27,30)(H,28,31) |
| InChIK | HEWMXXZRKVMFFP-UHFFFAOYSA-N |
| TotalMolweight | 484.298 |
| Molweight | 484.298 |
| MonoisotopicMass | 483.050109 |
| CLogP | 5.034 |
| CLogS | -7.758 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 355.23 |
| Relative PSA | 0.28838 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 16 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-N,3-N-bis[(Z)-(4-chlorophenyl)methylideneamino]-5-nitrobenzene-1,3-dicarboxamide | 2 - 1-N,3-N-bis[(Z)-(4-chlorophenyl)methylideneamino]-5-nitrobenzene-1,3-dicarboxamide
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