Chemical ID: 5034979

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCO
Chemical ID:
5034979
Name [?]:
7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCO
InChi [?]:
InChI=1/C10H14N4O3/c1-12-8-7(9(16)13(2)10(12)17)14(6-11-8)4-3-5-15/h6,15H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,14,16,12,4,3,5,8,13,2,7,11,17,6,9/rA:17nCNCCCONCOCNCNCCCO/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;s3d12;s11;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N4O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.83572
Area:407.153
Solvation:-3.3431
Coulombic:-63.3763
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.85
LogP (Chemaxon):0.02

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Descriptor Annotations

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