4-amino-2-phenylmethoxybenzoic acid
Formula:C14H13NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-amino-2-phenylmethoxybenzoic acid is a drug-like molecule.
| MolName | 4-amino-2-phenylmethoxybenzoic acid |
| MolecularFormula | C14H13NO3 |
| Smiles | Nc(cc1)cc(OCc2ccccc2)c1C(O)=O |
| InChI | InChI=1S/C14H13NO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H,16,17) |
| InChIK | XVCMYXIQBHPGHZ-UHFFFAOYSA-N |
| TotalMolweight | 243.261 |
| Molweight | 243.261 |
| MonoisotopicMass | 243.089544 |
| CLogP | 1.8155 |
| CLogS | -3.046 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 189.4 |
| Relative PSA | 0.27144 |
| PolarSurfaceArea | 72.55 |
| Druglikeness | -1.6219 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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