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Chemical ID: 4954425
Chemical ID:
4954425
Name [?]:
4-bromo-2-phenyl-quinoline
SMILES [?]:
c1ccc(cc1)c2cc(c3ccccc3n2)Br
InChi [?]:
InChI=1/C15H10BrN/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,8,4,10,9,15,7,17,16/E:(2,3)(6,7)/rA:17nCCCCCCCCCCCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrN |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08893 |
Area: | 409.97 |
Solvation: | -1.16033 |
Coulombic: | -8.77931 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.151 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.95 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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