(2E)-2-benzamido-2-(2-phenylchromen-4-ylidene)acetic acid
Formula:C24H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-benzamido-2-(2-phenylchromen-4-ylidene)acetic acid is a drug-like molecule.
| MolName | (2E)-2-benzamido-2-(2-phenylchromen-4-ylidene)acetic acid |
| MolecularFormula | C24H17NO4 |
| Smiles | OC(/C(/NC(c1ccccc1)=O)=C1\c(cccc2)c2OC(c2ccccc2)=C1)=O |
| InChI | InChI=1S/C24H17NO4/c26-23(17-11-5-2-6-12-17)25-22(24(27)28)19-15-21(16-9-3-1-4-10-16)29-20-14-8-7-13-18(19)20/h1-15H,(H,25,26)(H,27,28) |
| InChIK | BXJUKEGTSCQAAQ-UHFFFAOYSA-N |
| TotalMolweight | 383.402 |
| Molweight | 383.402 |
| MonoisotopicMass | 383.115759 |
| CLogP | 4.3152 |
| CLogS | -4.547 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.22 |
| Relative PSA | 0.20894 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | -0.17097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-2-benzamido-2-(2-phenylchromen-4-ylidene)acetic acid | 2 - (2E)-2-benzamido-2-(2-phenylchromen-4-ylidene)acetic acid
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