Chemical ID: 5748081

C[NH+](C)CCCn1cnc2c1c(nc(=O)n2Cc3ccccc3)O
Chemical ID:
5748081
Name [?]:
3-(3-benzyl-6-hydroxy-2-oxo-purin-7-yl)propyl-dimethyl-ammonium
SMILES [?]:
C[NH+](C)CCCn1cnc2c1c(nc(=O)n2Cc3ccccc3)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H22N5O2+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-20.9185
Area:528.607
Solvation:-34.1337
Coulombic:-24.9807
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.389
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.27
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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