N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitroaniline
Formula:C16H11N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitroaniline |
| MolecularFormula | C16H11N4O2Cl |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C16H11ClN4O2/c17-16-12(9-11-3-1-2-4-15(11)19-16)10-18-20-13-5-7-14(8-6-13)21(22)23/h1-10,20H |
| InChIK | VQIZRZGZXFLLIC-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 | 0.65217 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitroaniline | 2 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-nitroaniline
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