N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-cyanoacetamide
Formula:C10H7N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C10H7N4O3Cl |
| Smiles | N#CCC(N/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C10H7ClN4O3/c11-8-2-1-7(5-9(8)15(17)18)6-13-14-10(16)3-4-12/h1-2,5-6H,3H2,(H,14,16) |
| InChIK | CUCZFGMOTONJRR-UHFFFAOYSA-N |
| TotalMolweight | 266.644 |
| Molweight | 266.644 |
| MonoisotopicMass | 266.020668 |
| CLogP | 1.1422 |
| CLogS | -4.165 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 201.79 |
| Relative PSA | 0.3964 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -7.9997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-cyanoacetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-cyanoacetamide
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