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Chemical ID: 6236654
Chemical ID:
6236654
Name [?]:
6-pyrrolidin-1-yl-9H-purine
SMILES [?]:
c1[nH]c2c(n1)c(ncn2)N3CCCC3
InChi [?]:
InChI=1/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:12,13,11,14,1,8,4,3,6,5,2,9,7,10/E:(1,2)(3,4)/rA:14nCNCCNCNCNNCCCC/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s6;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N5 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.60444 |
Area: | 339.806 |
Solvation: | -1.89072 |
Coulombic: | -34.2524 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.2 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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