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Chemical ID: 5208050
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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