(6-chloro-8-nitro-3-pyridin-2-ylchromen-2-ylidene)azanium
Formula:C14H9N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6-chloro-8-nitro-3-pyridin-2-ylchromen-2-ylidene)azanium is a drug-like molecule.
| MolName | (6-chloro-8-nitro-3-pyridin-2-ylchromen-2-ylidene)azanium |
| MolecularFormula | C14H9N3O3Cl |
| Smiles | [NH2+]=C(C(c1ncccc1)=Cc1cc(Cl)c2)Oc1c2[N+]([O-])=O |
| InChI | InChI=1S/C14H8ClN3O3/c15-9-5-8-6-10(11-3-1-2-4-17-11)14(16)21-13(8)12(7-9)18(19)20/h1-7,16H/p+1 |
| InChIK | DMEGSVJCEKEXCD-UHFFFAOYSA-O |
| TotalMolweight | 302.696 |
| Molweight | 302.696 |
| MonoisotopicMass | 302.033244 |
| CLogP | 1.6735 |
| CLogS | -2.932 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 195.64 |
| Relative PSA | 0.2568 |
| PolarSurfaceArea | 93.53 |
| Druglikeness | -5.45 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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