(4Z)-4-[(2,4-dinitrocyclohexyl)hydrazinylidene]-1-indol-1-yl-4-phenylbutan-1-one
Formula:C24H25N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2,4-dinitrocyclohexyl)hydrazinylidene]-1-indol-1-yl-4-phenylbutan-1-one is a drug-like molecule.
| MolName | (4Z)-4-[(2,4-dinitrocyclohexyl)hydrazinylidene]-1-indol-1-yl-4-phenylbutan-1-one |
| MolecularFormula | C24H25N5O5 |
| Smiles | [O-][N+](C(CCC1N/N=C(/CCC(n(cc2)c3c2cccc3)=O)\c2ccccc2)CC1[N+]([O-])=O)=O |
| InChI | InChI=1S/C24H25N5O5/c30-24(27-15-14-18-8-4-5-9-22(18)27)13-12-20(17-6-2-1-3-7-17)25-26-21-11-10-19(28(31)32)16-23(21)29(33)34/h1-9,14-15,19,21,23,26H,10-13,16H2 |
| InChIK | LVRXMSASWRNOCF-UHFFFAOYSA-N |
| TotalMolweight | 463.493 |
| Molweight | 463.493 |
| MonoisotopicMass | 463.18557 |
| CLogP | 2.0729 |
| CLogS | -6.039 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 349.14 |
| Relative PSA | 0.29707 |
| PolarSurfaceArea | 138.03 |
| Druglikeness | -2.6226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 3 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon | unknown chirality |
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1 - (4Z)-4-[(2,4-dinitrocyclohexyl)hydrazinylidene]-1-indol-1-yl-4-phenylbutan-1-one | 2 - (4Z)-4-[(2,4-dinitrocyclohexyl)hydrazinylidene]-1-indol-1-yl-4-phenylbutan-1-one
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