Chemical ID: 5208050

C[n+]1cc2ccccc2c3c1c4cc(c(cc4cc3)OC)OC
Chemical ID:
5208050
Name [?]:
None
SMILES [?]:
C[n+]1cc2ccccc2c3c1c4cc(c(cc4cc3)OC)OC
InChi [?]:
InChI=1/C20H18NO2/c1-21-12-14-6-4-5-7-15(14)16-9-8-13-10-18(22-2)19(23-3)11-17(13)20(16)21/h4-12H,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,21,23,6,7,5,8,18,19,16,13,3,17,4,9,10,12,15,14,11,2,20,22/CRV:21+1/rA:23nCN+CCCCCCCCCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s10d18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-20.4619
Area:474.685
Solvation:-32.329
Coulombic:6.10359
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.362
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.19
LogP (Chemaxon):0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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