N,N-dicyclohexyl-N'-hydroxy-4-nitrobenzenecarboximidamide
Formula:C19H27N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N-dicyclohexyl-N'-hydroxy-4-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | N,N-dicyclohexyl-N'-hydroxy-4-nitrobenzenecarboximidamide |
| MolecularFormula | C19H27N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/N(C1CCCCC1)C1CCCCC1)=N\O)=O |
| InChI | InChI=1S/C19H27N3O3/c23-20-19(15-11-13-18(14-12-15)22(24)25)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17,23H,1-10H2 |
| InChIK | FLOLJUDEJGJPFB-UHFFFAOYSA-N |
| TotalMolweight | 345.441 |
| Molweight | 345.441 |
| MonoisotopicMass | 345.205242 |
| CLogP | 4.1761 |
| CLogS | -5.242 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 272.15 |
| Relative PSA | 0.21525 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -14.035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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