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Chemical ID: 7411999
Chemical ID:
7411999
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(=O)[nH]c(=O)n(c3nc2o1)C
InChi [?]:
InChI=1/C9H8N4O3/c1-4-3-13-5-6(10-9(13)16-4)12(2)8(15)11-7(5)14/h3H,1-2H3,(H,11,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,3,2,5,12,6,9,14,13,8,11,4,7,10,15/rA:16nCCCNCCONCONCNCOC/rB:s1;d2;s3;s4;s5;d6;s6;s8;d9;s9;d5s11;s12;s4d13;s2s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N4O3 |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61669 |
Area: | 367.394 |
Solvation: | -2.56816 |
Coulombic: | -58.9978 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 220.185 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.07 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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