Chemical ID: 7741715

c1ccc(cc1)OCC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
Chemical ID:
7741715
Name [?]:
None
SMILES [?]:
c1ccc(cc1)OCC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO4/c23-18-14-21(26-19-9-5-4-8-17(18)19)10-12-22(13-11-21)20(24)15-25-16-6-2-1-3-7-16/h1-9H,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,3,5,21,24,13,15,12,16,17,8,4,20,18,25,9,14,11,19,10,7,26/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCOCCONCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO4
All Atoms:47
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:8.13297
Area:547.23
Solvation:-5.54779
Coulombic:-40.2785
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.98
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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