GUN
- Molecular formula
- C5 H5 N5 O
- Molecular weight (g/mol)
- 151.13
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- GUANINE
- SMILES
- c1[nH]c2c(n1)C(=O)NC(=N2)N
- Isomeric SMILES
- c1[nH]c2c(n1)C(=O)NC(=N2)N
- InChI
- InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
- InChIKey
- UYTPUPDQBNUYGX-UHFFFAOYSA-N
- CAS
- 73-40-5
Chemical & physical properties
- HBA
- 4
- HBD
- 3
- TPSA (Ų)
- 100.45
- cLogP
- -0.77
- Chiral atoms
- 0
- Molar refractivity
- 38.92
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.46
NPScore-0.138385661
SAScore6.207175948