Chemical ID: 4975092

c1nc2c(c(n1)S)ncn2C3CCCC3O
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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