3-[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexyl]propanenitrile
Formula:C15H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexyl]propanenitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexyl]propanenitrile |
| MolecularFormula | C15H17N5O4 |
| Smiles | N#CCCC(CCCC1)/C1=N\Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C15H17N5O4/c16-9-3-5-11-4-1-2-6-13(11)17-18-14-8-7-12(19(21)22)10-15(14)20(23)24/h7-8,10-11,18H,1-6H2/t11-/m1/s1 |
| InChIK | ZBCQVRVDADMPAF-LLVKDONJSA-N |
| TotalMolweight | 331.331 |
| Molweight | 331.331 |
| MonoisotopicMass | 331.128055 |
| CLogP | 3.1721 |
| CLogS | -4.779 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 258.3 |
| Relative PSA | 0.37696 |
| PolarSurfaceArea | 139.82 |
| Druglikeness | -18.58 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - 3-[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexyl]propanenitrile | 2 - 3-[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexyl]propanenitrile
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