N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-nitroaniline
Formula:C16H11N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-nitroaniline |
| MolecularFormula | C16H11N4O2Cl |
| Smiles | [O-][N+](c(cccc1)c1N/N=C\c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C16H11ClN4O2/c17-16-12(9-11-5-1-2-6-13(11)19-16)10-18-20-14-7-3-4-8-15(14)21(22)23/h1-10,20H |
| InChIK | CTEVVGAECWBNSP-UHFFFAOYSA-N |
| TotalMolweight | 326.742 |
| Molweight | 326.742 |
| MonoisotopicMass | 326.057053 |
| CLogP | 4.9387 |
| CLogS | -4.814 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.69 |
| Relative PSA | 0.26629 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-nitroaniline | 2 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-nitroaniline
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