Guanidine-3-propanol
PubChem CID: 448503
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| Compound Synonyms | GUANIDINE-3-PROPANOL, PG3, DB03637, amino[(3-hydroxypropyl)amino]methaniminium, (diaminomethylidene)(3-hydroxypropyl)azanium, Q27094556 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 86.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OCCC[NH+]=CN)N |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Guanidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 77.4 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | diaminomethylidene(3-hydroxypropyl)azanium |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H12N3O+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDXXTKLHHZMVIO-UHFFFAOYSA-O |
| Silicos It Class | Soluble |
| Fcsp3 | 0.75 |
| Logs | -0.916 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.603 |
| Synonyms | pg 3 |
| Esol Class | Highly soluble |
| Functional Groups | CO, C[NH+]=C(N)N |
| Compound Name | Guanidine-3-propanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.098 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 118.098 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 118.16 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 0.49150800000000006 |
| Inchi | InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1 |
| Smiles | C(C[NH+]=C(N)N)CO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all