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Chemical ID: 6730724
Chemical ID:
6730724
Name [?]:
None
SMILES [?]:
Cc1cc([nH+]c2c1c3ccccc3cc2)c4cccc(c4OC)OC
InChi [?]:
InChI=1/C22H19NO2/c1-14-13-19(17-9-6-10-20(24-2)22(17)25-3)23-18-12-11-15-7-4-5-8-16(15)21(14)18/h4-13H,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,25,23,11,10,18,12,9,17,19,14,15,3,2,13,8,16,6,4,20,7,21,5,24,22/rA:25nCCCCN+CCCCCCCCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s13;s6d14;s4;s16;d17;s18;d19;d16s20;s21;s22;s20;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20NO2+ |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -15.4962 |
Area: | 517.08 |
Solvation: | -28.4232 |
Coulombic: | -16.349 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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