Chemical ID: 6730724

Cc1cc([nH+]c2c1c3ccccc3cc2)c4cccc(c4OC)OC
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

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Descriptor Annotations

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