2-[(Z)-2-nitro-2-(quinolin-2-ylamino)ethenyl]benzoic acid
Formula:C18H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-2-nitro-2-(quinolin-2-ylamino)ethenyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-2-nitro-2-(quinolin-2-ylamino)ethenyl]benzoic acid |
| MolecularFormula | C18H13N3O4 |
| Smiles | [O-][N+](/C(/Nc1nc2ccccc2cc1)=C\c(cccc1)c1C(O)=O)=O |
| InChI | InChI=1S/C18H13N3O4/c22-18(23)14-7-3-1-6-13(14)11-17(21(24)25)20-16-10-9-12-5-2-4-8-15(12)19-16/h1-11H,(H,19,20)(H,22,23) |
| InChIK | FHQMQKYKIIVNIG-UHFFFAOYSA-N |
| TotalMolweight | 335.318 |
| Molweight | 335.318 |
| MonoisotopicMass | 335.090607 |
| CLogP | 2.4176 |
| CLogS | -6.36 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.32 |
| Relative PSA | 0.31556 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | -5.4111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(Z)-2-nitro-2-(quinolin-2-ylamino)ethenyl]benzoic acid | 2 - 2-[(Z)-2-nitro-2-(quinolin-2-ylamino)ethenyl]benzoic acid
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