N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitrobenzamide
Formula:C17H11N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C17H11N4O3Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cc2ccccc2nc1Cl)=O)=O |
| InChI | InChI=1S/C17H11ClN4O3/c18-16-13(9-12-3-1-2-4-15(12)20-16)10-19-21-17(23)11-5-7-14(8-6-11)22(24)25/h1-10H,(H,21,23) |
| InChIK | XUFATMOLAGTNKU-UHFFFAOYSA-N |
| TotalMolweight | 354.752 |
| Molweight | 354.752 |
| MonoisotopicMass | 354.051968 |
| CLogP | 3.2994 |
| CLogS | -5.386 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.44 |
| Relative PSA | 0.29833 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitrobenzamide
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