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Chemical ID: 7709097
Chemical ID:
7709097
Name [?]:
None
SMILES [?]:
CN1C(=O)c2cccc(c2C1=O)NC(=O)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C17H11N3O3/c1-20-16(22)12-3-2-4-13(14(12)17(20)23)19-15(21)11-7-5-10(9-18)6-8-11/h2-8H,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,18,20,17,21,22,19,16,5,9,10,14,3,11,23,13,2,15,4,12/E:(5,6)(7,8)/rA:23nCNCOCCCCCCCONCOCCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s2s10;d11;s9;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11N3O3 |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.28212 |
Area: | 499.757 |
Solvation: | -3.21181 |
Coulombic: | -51.2867 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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