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Guanine
Also known as:
Molecular Formula
C5H5N5O
Molecular Weight
151.13  g/mol
InChI Key
UYTPUPDQBNUYGX-UHFFFAOYSA-N

1 2D Structure

Guanine

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 Weight 151.13 g/mol
Molecular Formula C5H5N5O
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.04940980 g/mol
Monoisotopic Mass151.04940980 g/mol
Topological Polar Surface Area96.2 A^2
Heavy Atom Count11
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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