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Chemical ID: 7703483
Chemical ID:
7703483
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)O
InChi [?]:
InChI=1/C17H17N3O4/c1-24-15-8-4-13(5-9-15)17(23)18-11-16(22)20-19-10-12-2-6-14(21)7-3-12/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,23,5,7,20,22,4,8,17,12,18,6,21,3,13,9,11,16,15,24,14,10,2/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCOCCCCCCCONCCONNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.91696 |
Area: | 570.662 |
Solvation: | -6.34959 |
Coulombic: | -63.1557 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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