Chemical ID: 4088353

C[N+]12CCc3cc(c(cc3C1Cc4ccc(c(c4C2)OC)OC)OC)OC
Chemical ID:
4088353
Name [?]:
None
SMILES [?]:
C[N+]12CCc3cc(c(cc3C1Cc4ccc(c(c4C2)OC)OC)OC)OC
InChi [?]:
InChI=1/C22H28NO4/c1-23-9-8-15-11-20(25-3)21(26-4)12-16(15)18(23)10-14-6-7-19(24-2)22(27-5)17(14)13-23/h6-7,11-12,18H,8-10,13H2,1-5H3/q+1
InChi Info:
AuxInfo=1/0/N:1,23,27,25,21,14,15,4,3,12,6,9,19,13,5,10,18,11,16,7,8,17,2,22,26,24,20/CRV:23+1/rA:27cCN+CCCCCCCCCCCCCCCCCOCOCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s13;d14;s15;d16;d13s17;s2s18;s17;s20;s16;s22;s8;s24;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28NO4+
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:-21.0702
Area:547.704
Solvation:-34.7628
Coulombic:-1.49969
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.462
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.13
LogP (Chemaxon):-1.84

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Descriptor Annotations

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