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Chemical ID: 6720574
Chemical ID:
6720574
Name [?]:
6-pyrrolidin-1-yl-7H-purine
SMILES [?]:
c1[nH]c2c(n1)ncnc2N3CCCC3
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:12,13,11,14,1,7,3,4,9,2,5,6,8,10/E:(1,2)(3,4)/rA:14nCNCCNNCNCNCCCC/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N5 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74942 |
Area: | 339.597 |
Solvation: | -1.7405 |
Coulombic: | -34.5447 |
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): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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