[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium
PubChem CID: 6995104
Connections displayed (default: 10).
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| Topological Polar Surface Area | 137.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Molecular Formula | C6H17N5O+2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULEBESPCVWBNIF-BYPYZUCNSA-P |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.208 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.744 |
| Compound Name | [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.143 |
| Formal Charge | 2.0 |
| Monoisotopic Mass | 175.143 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 175.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6224367999999999 |
| Inchi | InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+2/t4-/m0/s1 |
| Smiles | C(C[C@@H](C(=O)N)[NH3+])C[NH+]=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients