benzyl N-(5,6-diamino-6-oxohexyl)carbamate
Formula:C14H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N-(5,6-diamino-6-oxohexyl)carbamate is a drug-like molecule.
| MolName | benzyl N-(5,6-diamino-6-oxohexyl)carbamate |
| MolecularFormula | C14H21N3O3 |
| Smiles | NC(CCCCNC(OCc1ccccc1)=O)C(N)=O |
| InChI | InChI=1S/C14H21N3O3/c15-12(13(16)18)8-4-5-9-17-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19)/t12-/m0/s1 |
| InChIK | KZEBEQIWVUMFSB-LBPRGKRZSA-N |
| TotalMolweight | 279.339 |
| Molweight | 279.339 |
| MonoisotopicMass | 279.158292 |
| CLogP | 0.4061 |
| CLogS | -2.697 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 228.56 |
| Relative PSA | 0.34162 |
| PolarSurfaceArea | 107.44 |
| Druglikeness | -21.009 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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