Chemical ID: 4220160

c1cc(cc(c1)O)c2cc(c3cc(ccc3n2)Br)C(=O)O
Chemical ID:
4220160
Name [?]:
6-bromo-2-(3-hydroxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
c1cc(cc(c1)O)c2cc(c3cc(ccc3n2)Br)C(=O)O
InChi [?]:
InChI=1/C16H10BrNO3/c17-10-4-5-14-12(7-10)13(16(20)21)8-15(18-14)9-2-1-3-11(19)6-9/h1-8,19H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,4,12,9,3,13,5,11,10,16,8,19,18,17,7,20,21/E:(20,21)/rA:21nCCCCCCOCCCCCCCCCNBrCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s13;s10;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10BrNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.09942
Area:476.698
Solvation:-2.81803
Coulombic:-49.9902
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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