(Z)-3-(3-nitrocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile
Formula:C15H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(3-nitrocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(3-nitrocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile |
| MolecularFormula | C15H21N3O4 |
| Smiles | N#C/C(/C(CC1)CCC1[N+]([O-])=O)=C\C(CCC1)CC1[N+]([O-])=O |
| InChI | InChI=1S/C15H21N3O4/c16-10-13(12-4-6-14(7-5-12)17(19)20)8-11-2-1-3-15(9-11)18(21)22/h8,11-12,14-15H,1-7,9H2/b13-8+ |
| InChIK | SKMLWKVLVSMLDJ-MDWZMJQESA-N |
| TotalMolweight | 307.349 |
| Molweight | 307.349 |
| MonoisotopicMass | 307.153207 |
| CLogP | 1.2596 |
| CLogS | -4.276 |
| H Acceptors | 7 |
| TotalSurfaceArea | 240.34 |
| Relative PSA | 0.30956 |
| PolarSurfaceArea | 115.43 |
| Druglikeness | -12.485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon | unknown chirality |
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