(Z)-2-benzamido-3-(1H-indol-3-yl)prop-2-enoic acid
Formula:C18H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-benzamido-3-(1H-indol-3-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-benzamido-3-(1H-indol-3-yl)prop-2-enoic acid |
| MolecularFormula | C18H14N2O3 |
| Smiles | OC(/C(/NC(c1ccccc1)=O)=C/c1c[nH]c2c1cccc2)=O |
| InChI | InChI=1S/C18H14N2O3/c21-17(12-6-2-1-3-7-12)20-16(18(22)23)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,19H,(H,20,21)(H,22,23) |
| InChIK | HVTVLGUFWNSGTG-UHFFFAOYSA-N |
| TotalMolweight | 306.32 |
| Molweight | 306.32 |
| MonoisotopicMass | 306.100443 |
| CLogP | 2.8008 |
| CLogS | -3.899 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 235.21 |
| Relative PSA | 0.27478 |
| PolarSurfaceArea | 82.19 |
| Druglikeness | -0.18901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-2-benzamido-3-(1H-indol-3-yl)prop-2-enoic acid | 2 - (Z)-2-benzamido-3-(1H-indol-3-yl)prop-2-enoic acid
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