(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylcyclopentane-1-carboxylic acid
Formula:C18H16N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylcyclopentane-1-carboxylic acid is a drug-like molecule.
| MolName | (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylcyclopentane-1-carboxylic acid |
| MolecularFormula | C18H16N4O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/CC1)\CC1(C(O)=O)c1ccccc1)=O |
| InChI | InChI=1S/C18H16N4O6/c23-17(24)18(12-4-2-1-3-5-12)9-8-13(11-18)19-20-15-7-6-14(21(25)26)10-16(15)22(27)28/h1-7,10,20H,8-9,11H2,(H,23,24)/t18-/m1/s1 |
| InChIK | CTMVPQXTZDHTSF-GOSISDBHSA-N |
| TotalMolweight | 384.347 |
| Molweight | 384.347 |
| MonoisotopicMass | 384.106986 |
| CLogP | 2.6465 |
| CLogS | -4.658 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 277.08 |
| Relative PSA | 0.39682 |
| PolarSurfaceArea | 153.33 |
| Druglikeness | -5.6675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon | racemate |
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1 - (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylcyclopentane-1-carboxylic acid | 2 - (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylcyclopentane-1-carboxylic acid
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