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Chemical ID: 4938266
Chemical ID:
4938266
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1n3n2c(=O)n(c3=O)C)C
InChi [?]:
InChI=1/C11H11N3O2/c1-6-4-5-7(2)9-8(6)13-10(15)12(3)11(16)14(9)13/h4-5H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,15,3,4,2,5,7,6,13,10,12,8,9,14,11/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:16nCCCCCCCNNCONCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6s8;s9;d10;s10;s8s12;d13;s12;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88506 |
Area: | 374.933 |
Solvation: | -1.48827 |
Coulombic: | -39.9767 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 217.224 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.52 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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