Chemical ID: 7188250

COc1ccc(cc1)c2cc(c3cc(ccc3[nH+]2)Br)c4ccccc4
Chemical ID:
7188250
Name [?]:
6-bromo-2-(4-methoxyphenyl)-4-phenyl-1H-quinoline
SMILES [?]:
COc1ccc(cc1)c2cc(c3cc(ccc3[nH+]2)Br)c4ccccc4
InChi [?]:
InChI=1/C22H16BrNO/c1-25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,5,7,15,4,8,16,13,10,20,6,14,3,11,12,17,9,19,18,2/E:(3,4)(5,6)(7,8)(10,11)/rA:25nCOCCCCCCCCCCCCCCCN+BrCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s14;s11;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17BrNO+
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-18.8556
Area:550.917
Solvation:-32.6285
Coulombic:-2.95674
Bond Count [?]
All:28
Single:17
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:391.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.81
LogP (Chemaxon):6.44

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Descriptor Annotations

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