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Chemical ID: 4285388
Chemical ID:
4285388
Name [?]:
6-bromo-2-(4-hydroxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
c1cc(ccc1c2cc(c3cc(ccc3n2)Br)C(=O)O)O
InChi [?]:
InChI=1/C16H10BrNO3/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(18-14)9-1-4-11(19)5-2-9/h1-8,19H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,13,2,4,14,11,8,6,12,3,10,9,15,7,18,17,16,21,19,20/E:(1,2)(4,5)(20,21)/rA:21nCCCCCCCCCCCCCCCNBrCOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10BrNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07317 |
Area: | 475.827 |
Solvation: | -2.8225 |
Coulombic: | -49.9558 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 344.16 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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