2-chloro-N-[4-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide
Formula:C21H15N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[4-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[4-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide |
| MolecularFormula | C21H15N4O4Cl |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c(cc2)ccc2NC(c(cccc2)c2Cl)=O)=O)c1)=O |
| InChI | InChI=1S/C21H15ClN4O4/c22-19-7-2-1-6-18(19)21(28)24-16-10-8-15(9-11-16)20(27)25-23-13-14-4-3-5-17(12-14)26(29)30/h1-13H,(H,24,28)(H,25,27) |
| InChIK | HESBFYIUVYKAQK-UHFFFAOYSA-N |
| TotalMolweight | 422.827 |
| Molweight | 422.827 |
| MonoisotopicMass | 422.078183 |
| CLogP | 4.0335 |
| CLogS | -6.429 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 315.05 |
| Relative PSA | 0.28862 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -0.26122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-N-[4-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide | 2 - 2-chloro-N-[4-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide
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