1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-3,7-dihydropurin-6-one

2.1.2 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)

2.1.3 InChI Key

UYTPUPDQBNUYGX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC2=C(N1)C(=O)N=C(N2)N

2.1.5 Isomeric SMILES

C1=NC2=C(N1)C(=O)N=C(N2)N

2.2 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₅N₅O
Molecular Weight	151.13 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	151.04940980 g/mol
Monoisotopic Mass	151.04940980 g/mol
Topological Polar Surface Area	96.2 A^2
Heavy Atom Count	11
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Guanine