3-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-nitrobenzamide
Formula:C14H11N4O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-nitrobenzamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-nitrobenzamide |
| MolecularFormula | C14H11N4O3Cl |
| Smiles | Nc1cc(C(N/N=C\c(cccc2)c2Cl)=O)cc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C14H11ClN4O3/c15-13-4-2-1-3-9(13)8-17-18-14(20)10-5-11(16)7-12(6-10)19(21)22/h1-8H,16H2,(H,18,20) |
| InChIK | XWHVLSRQHGXISW-UHFFFAOYSA-N |
| TotalMolweight | 318.719 |
| Molweight | 318.719 |
| MonoisotopicMass | 318.051968 |
| CLogP | 2.2087 |
| CLogS | -4.993 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234.6 |
| Relative PSA | 0.34825 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.7815 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-nitrobenzamide | 2 - 3-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-nitrobenzamide
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