Cytosine | SBID = 601 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 67.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 81.6 | ||
| Sum Formula: | C4H5N3O | ||
| M / g/mol: | 111.1 | ||
| Complexity: | 170.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: nucleobase
- Name: Cytosine
- Preferred Abbreviation: Cytosine
- IUPAC Name: 6-amino-1H-pyrimidin-2-one
- CAS: 71-30-7
- CID: 597
- InChiKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
- InChi: InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
- CanoSmiles: C1=C(NC(=O)N=C1)N
- IsoSmiles: C1=C(NC(=O)N=C1)N
