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Chemical ID: 7707686
Chemical ID:
7707686
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2cccc(c2)OC
InChi [?]:
InChI=1/C18H19N3O4/c1-24-15-8-6-14(7-9-15)18(23)19-12-17(22)21-20-11-13-4-3-5-16(10-13)25-2/h3-11H,12H2,1-2H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,20,19,21,5,7,4,8,23,17,12,18,6,3,22,13,9,11,16,15,14,10,2,24/E:(6,7)(8,9)/rA:25nCOCCCCCCCONCCONNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.18761 |
Area: | 595.204 |
Solvation: | -6.69248 |
Coulombic: | -54.5123 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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