Chemical ID: 4938604

Cn1c(=O)[nH]n(c1=O)C2Cn3c(=O)n(c(=O)n3-c4c2cccc4)C
Chemical ID:
4938604
Name [?]:
None
SMILES [?]:
Cn1c(=O)[nH]n(c1=O)C2Cn3c(=O)n(c(=O)n3-c4c2cccc4)C
InChi [?]:
InChI=1/C14H14N6O4/c1-16-11(21)15-19(13(16)23)10-7-18-12(22)17(2)14(24)20(18)9-6-4-3-5-8(9)10/h3-6,10H,7H2,1-2H3,(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,24,21,22,20,23,10,19,18,9,3,12,7,15,5,2,14,11,6,17,4,13,8,16/rA:24cCNCONNCOCCNCONCONCCCCCCC/rB:s1;s2;d3;s3;s5;s2s6;d7;s6;s9;s10;s11;d12;s12;s14;d15;s11s15;s17;s9s18;d19;s20;d21;d18s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N6O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.15048
Area:487.429
Solvation:-3.03524
Coulombic:-83.0654
Bond Count [?]
All:27
Single:20
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:330.299
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.83
LogP (Chemaxon):1.19

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Descriptor Annotations

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