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Chemical ID: 4975092
Chemical ID:
4975092
Name [?]:
2-(6-sulfanylpurin-9-yl)cyclopentan-1-ol
SMILES [?]:
c1nc2c(c(n1)S)ncn2C3CCCC3O
InChi [?]:
InChI=1/C10H12N4OS/c15-7-3-1-2-6(7)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,9,11,15,4,3,5,2,6,8,10,16,7/rA:16cCNCCCNSNCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s10;s11;s12;s13;s11s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N4OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.92905 |
Area: | 391.465 |
Solvation: | -2.85759 |
Coulombic: | -40.9299 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 236.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.75 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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