Chemical ID: 7385322

c1c2c(nc3n1ncn3)CCCC2=O
Chemical ID:
7385322
Name [?]:
None
SMILES [?]:
c1c2c(nc3n1ncn3)CCCC2=O
InChi [?]:
InChI=1/C9H8N4O/c14-8-3-1-2-7-6(8)4-13-9(12-7)10-5-11-13/h4-5H,1-3H2
InChi Info:
AuxInfo=1/0/N:11,10,12,1,8,2,3,13,5,9,7,4,6,14/rA:14nCCCNCNNCNCCCCO/rB:d1;s2;d3;s4;s1s5;s6;d7;d5s8;s3;s10;s11;s2s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N4O
All Atoms:22
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.82708
Area:333.658
Solvation:-2.51437
Coulombic:-23.5719
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.186
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.84
LogP (Chemaxon):0.36

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Experimental Annotations

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Descriptor Annotations

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