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Chemical ID: 6129615
Chemical ID:
6129615
Name [?]:
7-(3,5-dioxopiperazin-1-yl)heptanamide
SMILES [?]:
C1C(=O)NC(=O)CN1CCCCCCC(=O)N
InChi [?]:
InChI=1/C11H19N3O3/c12-9(15)5-3-1-2-4-6-14-7-10(16)13-11(17)8-14/h1-8H2,(H2,12,15)(H,13,16,17)
InChi Info:
AuxInfo=1/1/N:12,11,13,10,14,9,1,7,15,2,5,17,4,8,16,3,6/E:(7,8)(10,11)(16,17)/rA:17nCCONCOCNCCCCCCCON/rB:s1;d2;s2;s4;d5;s5;s1s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19N3O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.2768 |
Area: | 458.457 |
Solvation: | -4.18463 |
Coulombic: | -57.9247 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.287 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.98 |
LogP (Chemaxon): | -1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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