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Chemical ID: 7445532
Chemical ID:
7445532
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(cc2oc1C(=O)NCCO)c(c(o3)C(=O)NCCO)C
InChi [?]:
InChI=1/C18H20N2O6/c1-9-11-7-14-12(10(2)16(26-14)18(24)20-4-6-22)8-13(11)25-15(9)17(23)19-3-5-21/h7-8,21-22H,3-6H2,1-2H3,(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,14,23,15,24,4,7,2,17,3,6,8,5,10,18,11,20,13,22,16,25,12,21,9,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCCCOCCONCCOCCOCONCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;s6;d17;s5s18;s18;d20;s20;s22;s23;s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O6 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04735 |
Area: | 585.848 |
Solvation: | -5.59883 |
Coulombic: | -93.4066 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 360.361 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.19 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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