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Chemical ID: 4973584
Chemical ID:
4973584
Name [?]:
None
SMILES [?]:
c1cc-2c(nc1)C(=O)C(=O)c3c2cccn3
InChi [?]:
InChI=1/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H
InChi Info:
AuxInfo=1/0/N:1,14,2,13,6,15,3,12,4,11,7,9,5,16,8,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCNCCOCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s9;s3s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.28677 |
Area: | 360.393 |
Solvation: | -3.72306 |
Coulombic: | -27.4532 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 210.188 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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