Chemical ID: 4973584

c1cc-2c(nc1)C(=O)C(=O)c3c2cccn3
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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