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Chemical ID: 4938604
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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