Chemical ID: 5671636

C[NH+]1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC
Chemical ID:
5671636
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC
InChi [?]:
InChI=1/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,22,26,24,4,3,12,6,18,15,5,13,14,11,17,16,7,10,9,8,2,19,21,25,23/rA:26cCN+CCCCCCCCCCCCCCCCOCOCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s8;s23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26NO4+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:-26.6624
Area:512.632
Solvation:-39.4782
Coulombic:4.78718
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.63
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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