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Chemical ID: 6494606
Chemical ID:
6494606
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c-3nc(=O)nc23
InChi [?]:
InChI=1/C10H4N2O2/c13-9-6-4-2-1-3-5(6)7-8(9)12-10(14)11-7/h1-4H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,4,5,14,9,7,11,13,10,8,12/rA:14nCCCCCCCOCNCONC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s10;d11;s11;s4s9d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H4N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.26022 |
Area: | 336.134 |
Solvation: | -2.14314 |
Coulombic: | -32.6026 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 184.151 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.32 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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