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Chemical ID: 4087844
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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