Chemical ID: 4285388

c1cc(ccc1c2cc(c3cc(ccc3n2)Br)C(=O)O)O
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

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Descriptor Annotations

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