cyclohexyl 4-carbamimidoylbenzoate
Formula:C14H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
cyclohexyl 4-carbamimidoylbenzoate is a drug-like molecule.
| MolName | cyclohexyl 4-carbamimidoylbenzoate |
| MolecularFormula | C14H18N2O2 |
| Smiles | NC(c(cc1)ccc1C(OC1CCCCC1)=O)=N |
| InChI | InChI=1S/C14H18N2O2/c15-13(16)10-6-8-11(9-7-10)14(17)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H3,15,16) |
| InChIK | FYCNYKJKVGNWEW-UHFFFAOYSA-N |
| TotalMolweight | 246.309 |
| Molweight | 246.309 |
| MonoisotopicMass | 246.136828 |
| CLogP | 1.8166 |
| CLogS | -2.6 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 197.64 |
| Relative PSA | 0.27277 |
| PolarSurfaceArea | 76.17 |
| Druglikeness | -5.3823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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