p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide
PubChem CID: 617003
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| Compound Synonyms | p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide, BCWZSSQMWZZGBM-UHFFFAOYSA-N, p,p-Di(1-aziridinyl)-N-(4-methylphenyl)phosphinic amide # |
|---|---|
| Topological Polar Surface Area | 35.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[bis(aziridin-1-yl)phosphoryl]-4-methylaniline |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C11H16N3OP |
| Prediction Swissadme | 1.0 |
| Inchi Key | BCWZSSQMWZZGBM-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.702 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.215 |
| Compound Name | p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 237.103 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.103 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 237.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.351306599999999 |
| Inchi | InChI=1S/C11H16N3OP/c1-10-2-4-11(5-3-10)12-16(15,13-6-7-13)14-8-9-14/h2-5H,6-9H2,1H3,(H,12,15) |
| Smiles | CC1=CC=C(C=C1)NP(=O)(N2CC2)N3CC3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients