3-phenylcinnoline-4-carboxylic acid
Formula:C15H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenylcinnoline-4-carboxylic acid is a drug-like molecule.
| MolName | 3-phenylcinnoline-4-carboxylic acid |
| MolecularFormula | C15H10N2O2 |
| Smiles | OC(c1c(-c2ccccc2)nnc2ccccc12)=O |
| InChI | InChI=1S/C15H10N2O2/c18-15(19)13-11-8-4-5-9-12(11)16-17-14(13)10-6-2-1-3-7-10/h1-9H,(H,18,19) |
| InChIK | UGJHDXUWDLKCDG-UHFFFAOYSA-N |
| TotalMolweight | 250.256 |
| Molweight | 250.256 |
| MonoisotopicMass | 250.074228 |
| CLogP | 2.382 |
| CLogS | -3.662 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 189.24 |
| Relative PSA | 0.25407 |
| PolarSurfaceArea | 63.08 |
| Druglikeness | -1.5746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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