(E)-4-[2-(2-diphenylphosphoryl-3-phenylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C25H23N2O5P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(2-diphenylphosphoryl-3-phenylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(2-diphenylphosphoryl-3-phenylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C25H23N2O5P |
| Smiles | OC(/C=C/C(NNC(C(Cc1ccccc1)P(c1ccccc1)(c1ccccc1)=O)=O)=O)=O |
| InChI | InChI=1S/C25H23N2O5P/c28-23(16-17-24(29)30)26-27-25(31)22(18-19-10-4-1-5-11-19)33(32,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22H,18H2,(H,26,28)(H,27,31)(H,29,30)/t22-/m0/s1 |
| InChIK | AEWUXLOFJJNXFQ-QFIPXVFZSA-N |
| TotalMolweight | 462.441 |
| Molweight | 462.441 |
| MonoisotopicMass | 462.13446 |
| CLogP | 2.4163 |
| CLogS | -5.116 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 351.83 |
| Relative PSA | 0.26194 |
| PolarSurfaceArea | 122.38 |
| Druglikeness | -9.185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (E)-4-[2-(2-diphenylphosphoryl-3-phenylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(2-diphenylphosphoryl-3-phenylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid
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