Urea | SBID = 1602 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 69.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 44.1 | ||
| Sum Formula: | CH4N2O | ||
| M / g/mol: | 60.056 | ||
| Complexity: | 29.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest, drug
- Name: Urea
- Preferred Abbreviation: Urea
- IUPAC Name: urea
- CAS: 57-13-6
- CID: 1176
- InChiKey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
- InChi: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
- CanoSmiles: C(=O)(N)N
- IsoSmiles: C(=O)(N)N
