decyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate
Formula:C18H29N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
decyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate is not a drug-like molecule.
| MolName | decyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate |
| MolecularFormula | C18H29N4OCl |
| Smiles | CCCCCCCCCCO/C(/N)=N\C(\N)=N\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H29ClN4O/c1-2-3-4-5-6-7-8-9-14-24-18(21)23-17(20)22-16-12-10-15(19)11-13-16/h10-13H,2-9,14H2,1H3,(H4,20,21,22,23) |
| InChIK | RQIQJOOLKNLCDV-UHFFFAOYSA-N |
| TotalMolweight | 352.908 |
| Molweight | 352.908 |
| MonoisotopicMass | 352.202988 |
| CLogP | 5.1549 |
| CLogS | -5.865 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.76 |
| Relative PSA | 0.21346 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | -21.389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 11 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - decyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate | 2 - decyl N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidate
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