2-[[(1S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxo-1-phenylethyl]amino]-4-nitrophenolate
Formula:C21H16N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(1S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxo-1-phenylethyl]amino]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[[(1S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxo-1-phenylethyl]amino]-4-nitrophenolate |
| MolecularFormula | C21H16N4O4F |
| Smiles | [O-]c(ccc([N+]([O-])=O)c1)c1N[C@H](C(N/N=C\c(cc1)ccc1F)=O)c1ccccc1 |
| InChI | InChI=1S/C21H17FN4O4/c22-16-8-6-14(7-9-16)13-23-25-21(28)20(15-4-2-1-3-5-15)24-18-12-17(26(29)30)10-11-19(18)27/h1-13,20,24,27H,(H,25,28)/p-1/t20-/m0/s1 |
| InChIK | NDORNCNJQGKTIO-FQEVSTJZSA-M |
| TotalMolweight | 407.38 |
| Molweight | 407.38 |
| MonoisotopicMass | 407.115559 |
| CLogP | 1.0475 |
| CLogS | -5.115 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 308.26 |
| Relative PSA | 0.299 |
| PolarSurfaceArea | 122.37 |
| Druglikeness | -0.52252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-[[(1S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxo-1-phenylethyl]amino]-4-nitrophenolate | 2 - 2-[[(1S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxo-1-phenylethyl]amino]-4-nitrophenolate
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