Chemical ID: 5172457

C[n+]1cc2cc(c(cc2c3c1c4cc(c(cc4cc3)OC)OC)OC)OC
Chemical ID:
5172457
Name [?]:
None
SMILES [?]:
C[n+]1cc2cc(c(cc2c3c1c4cc(c(cc4cc3)OC)OC)OC)OC
InChi [?]:
InChI=1/C22H22NO4/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23/h6-12H,1-5H3/q+1
InChi Info:
AuxInfo=1/0/N:1,21,27,25,23,18,19,16,5,8,13,3,17,4,10,9,12,15,6,7,14,11,2,20,26,24,22/CRV:23+1/rA:27nCN+CCCCCCCCCCCCCCCCCOCOCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s10d18;s15;s20;s14;s22;s7;s24;s6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22NO4+
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-24.5158
Area:547.08
Solvation:-38.1928
Coulombic:-2.73111
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.414
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.75
LogP (Chemaxon):-0.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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