(E)-3-[5-(phenylmethoxycarbonylamino)-1H-indol-3-yl]prop-2-enoic acid
Formula:C19H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[5-(phenylmethoxycarbonylamino)-1H-indol-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[5-(phenylmethoxycarbonylamino)-1H-indol-3-yl]prop-2-enoic acid |
| MolecularFormula | C19H16N2O4 |
| Smiles | OC(/C=C/c1c[nH]c(cc2)c1cc2NC(OCc1ccccc1)=O)=O |
| InChI | InChI=1S/C19H16N2O4/c22-18(23)9-6-14-11-20-17-8-7-15(10-16(14)17)21-19(24)25-12-13-4-2-1-3-5-13/h1-11,20H,12H2,(H,21,24)(H,22,23) |
| InChIK | CZFUENGGVAYSPM-UHFFFAOYSA-N |
| TotalMolweight | 336.346 |
| Molweight | 336.346 |
| MonoisotopicMass | 336.111008 |
| CLogP | 2.8383 |
| CLogS | -4.504 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 260.76 |
| Relative PSA | 0.2862 |
| PolarSurfaceArea | 91.42 |
| Druglikeness | -7.2595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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