1-cyclohexyl-3-[(Z)-(2-nitrophenyl)methylideneamino]urea
Formula:C14H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-(2-nitrophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(2-nitrophenyl)methylideneamino]urea |
| MolecularFormula | C14H18N4O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(NC2CCCCC2)=O)cccc1)=O |
| InChI | InChI=1S/C14H18N4O3/c19-14(16-12-7-2-1-3-8-12)17-15-10-11-6-4-5-9-13(11)18(20)21/h4-6,9-10,12H,1-3,7-8H2,(H2,16,17,19) |
| InChIK | OOUKKXLYJQTISS-UHFFFAOYSA-N |
| TotalMolweight | 290.322 |
| Molweight | 290.322 |
| MonoisotopicMass | 290.137891 |
| CLogP | 2.1209 |
| CLogS | -4.764 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 230.16 |
| Relative PSA | 0.33842 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -5.0849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-cyclohexyl-3-[(Z)-(2-nitrophenyl)methylideneamino]urea | 2 - 1-cyclohexyl-3-[(Z)-(2-nitrophenyl)methylideneamino]urea
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