Chemical ID: 4929950

CC(C)n1c(=O)c2nn3c(c(=O)n(c3=O)C(C)C)nn2c1=O
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

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Descriptor Annotations

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