2-(quinazolin-3-ium-4-ylamino)acetic acid
Formula:C10H10N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(quinazolin-3-ium-4-ylamino)acetic acid is a drug-like molecule.
| MolName | 2-(quinazolin-3-ium-4-ylamino)acetic acid |
| MolecularFormula | C10H10N3O2 |
| Smiles | OC(CNc1[nH+]cnc2ccccc12)=O |
| InChI | InChI=1S/C10H9N3O2/c14-9(15)5-11-10-7-3-1-2-4-8(7)12-6-13-10/h1-4,6H,5H2,(H,14,15)(H,11,12,13)/p+1 |
| InChIK | GQLYDNMTAYXPLC-UHFFFAOYSA-O |
| TotalMolweight | 204.208 |
| Molweight | 204.208 |
| MonoisotopicMass | 204.077302 |
| CLogP | -1.4361 |
| CLogS | -2.473 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 143.73 |
| Relative PSA | 0.33793 |
| PolarSurfaceArea | 76.36 |
| Druglikeness | -2.9839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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