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Chemical ID: 7157181
Chemical ID:
7157181
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c-3n[nH]c4c(nc23)non4
InChi [?]:
InChI=1/C11H5N5O2/c17-9-6-4-2-1-3-5(6)7-8(9)13-14-11-10(12-7)15-18-16-11/h1-4H,(H,14,16)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,4,5,15,9,7,13,12,14,10,11,16,18,8,17/rA:18nCCCCCCCOCNNCCNCNON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s10;s11;s12;s13;s4s9d14;d13;s16;d12s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H5N5O2 |
All Atoms: | 23 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39698 |
Area: | 389.7 |
Solvation: | -2.34551 |
Coulombic: | -30.0618 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 239.19 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.61 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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