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Chemical ID: 4929950
Chemical ID:
4929950
Name [?]:
None
SMILES [?]:
CC(C)n1c(=O)c2nn3c(c(=O)n(c3=O)C(C)C)nn2c1=O
InChi [?]:
InChI=1/C12H14N6O4/c1-5(2)15-9(19)7-13-18-8(14-17(7)11(15)21)10(20)16(6(3)4)12(18)22/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,2,16,7,10,5,11,21,14,8,19,4,13,20,9,6,12,22,15/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCNCOCNNCCONCOCCCNNCO/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s11;s9s13;d14;s13;s16;s16;d10;s7s19;s4s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N6O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00033 |
Area: | 475.568 |
Solvation: | -2.88887 |
Coulombic: | -71.2913 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.278 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.66 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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