Chemical ID: 7078605

Cn1c2ccccc2c(c-3c(nc(=O)nc13)O)C(=O)O
Chemical ID:
7078605
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c(c-3c(nc(=O)nc13)O)C(=O)O
InChi [?]:
InChI=1/C13H9N3O4/c1-16-7-5-3-2-4-6(7)8(12(18)19)9-10(16)14-13(20)15-11(9)17/h2-5H,1H3,(H,18,19)(H,15,17,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,3,9,10,16,11,18,13,15,12,2,17,19,20,14/E:(18,19)/rA:20nCNCCCCCCCCCNCONCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s12;d13;s13;s2s10d15;s11;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3O4
All Atoms:29
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:7.19616
Area:412.499
Solvation:-3.11632
Coulombic:-73.3998
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.79
LogP (Chemaxon):None

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Descriptor Annotations

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