Chemical ID: 4485331

c1ccc(cc1)Cn2cnc(c-3nc(nc23)SCC(=O)O)N
Chemical ID:
4485331
Name [?]:
2-(6-amino-3-benzyl-purin-8-yl)sulfanylacetic acid
SMILES [?]:
c1ccc(cc1)Cn2cnc(c-3nc(nc23)SCC(=O)O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H13N5O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.64946
Area:508.549
Solvation:-3.06425
Coulombic:-68.2646
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.352
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.91
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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