Chemical ID: 4087844

Cc1c2c(=O)cc[nH]c2c3c(n1)non3
Chemical ID:
4087844
Name [?]:
None
SMILES [?]:
Cc1c2c(=O)cc[nH]c2c3c(n1)non3
InChi [?]:
InChI=1/C9H6N4O2/c1-4-6-5(14)2-3-10-7(6)8-9(11-4)13-15-12-8/h2-3H,1H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,6,7,2,4,3,9,10,11,8,12,15,13,5,14/rA:15nCCCCOCCNCCCNNON/rB:s1;s2;s3;d4;s4;d6;s7;d3s8;s9;s10;d2s11;d11;s13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.32844
Area:334.143
Solvation:-2.02513
Coulombic:-27.6299
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:202.17
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.7
LogP (Chemaxon):0.94

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Descriptor Annotations

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