Phenethylurea
PubChem CID: 75089
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| Compound Synonyms | Phenethylurea, N-Phenethylurea, 2158-04-5, Urea, phenethyl-, 2-phenylethylurea, 1-Phenylethylurea, Urea, (2-phenylethyl)-, N-(2-Phenylethyl)urea, (2-phenylethyl)urea, 1-phenethylurea, K742FM9CQ9, .beta.-Phenylethylurea, NSC 27463, NSC-27463, BRN 2092052, Urea, 1-(2-phenylethyl)-, DTXSID70175931, UREA, N-(2-PHENYLETHYL)-, beta-Phenylethylurea, SMR000639428, phenylethylurea, NSC27463, 1-(2-phenylethyl)urea, Maybridge4_003326, WLN: ZVM2R, N-(2-Phenylethyl)urea #, UNII-K742FM9CQ9, MLS001075375, MLS001075442, SCHEMBL1439724, CHEMBL1873487, DTXCID5098422, HMS1530H04, HMS2204H17, HMS3332M08, CCG-40834, MFCD00731114, STK400325, AKOS000137527, NCGC00175965-01, DS-012159, NS00002521, EN300-7501724, SR-01000630947-1, BRD-K96944361-001-01-0, Z198194788 |
|---|---|
| Topological Polar Surface Area | 55.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylethylurea |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C9H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZMTSMVZAFDWQRM-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.64 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.285 |
| Compound Name | Phenethylurea |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.095 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8208896 |
| Inchi | InChI=1S/C9H12N2O/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12) |
| Smiles | C1=CC=C(C=C1)CCNC(=O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Armoracia Rusticana (Plant) Rel Props:Source_db:cmaup_ingredients