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Chemical ID: 7708496
Chemical ID:
7708496
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2ccccc2Oc3ccccc3
InChi [?]:
InChI=1/C21H19NO3/c1-16-11-13-17(14-12-16)24-15-21(23)22-19-9-5-6-10-20(19)25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,15,16,21,25,14,17,3,7,4,6,9,2,5,20,13,18,10,12,11,8,19/E:(3,4)(7,8)(11,12)(13,14)/rA:25nCCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO3 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.62387 |
Area: | 557.053 |
Solvation: | -4.30245 |
Coulombic: | -38.893 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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