Chemical ID: 4997154

CCCn1cnc2c1nc(nc2S)N
Chemical ID:
4997154
Name [?]:
2-amino-9-propyl-purine-6-thiol
SMILES [?]:
CCCn1cnc2c1nc(nc2S)N
InChi [?]:
InChI=1/C8H11N5S/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,5,7,8,12,10,14,6,9,11,4,13/rA:14nCCCNCNCCNCNCSN/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N5S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.96411
Area:379.988
Solvation:-1.53558
Coulombic:-42.6164
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.273
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.22
LogP (Chemaxon):1.58

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Descriptor Annotations

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