Chemical ID: 7678853

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N)nn2
Chemical ID:
7678853
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N)nn2
InChi [?]:
InChI=1/C13H12N6O3/c1-22-9-4-2-3-8(5-9)19-12-11(16-17-19)13(21)18(7-15-12)6-10(14)20/h2-5,7H,6H2,1H3,(H2,14,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,17,15,7,3,18,11,10,12,20,16,21,22,14,9,19,13,2/rA:22nCOCCCCCCNCCCONCNCCONNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s11;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N6O3
All Atoms:34
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:6.94482
Area:480.663
Solvation:-5.07176
Coulombic:-58.5256
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.96
LogP (Chemaxon):None

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Descriptor Annotations

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