Chemical ID: 6525174

c1cc(ccc1C(=O)Nc2ccc(c(c2)O)C(=O)O)Br
Chemical ID:
6525174
Name [?]:
4-(4-bromobenzoyl)amino-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(c(c2)O)C(=O)O)Br
InChi [?]:
InChI=1/C14H10BrNO4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11(14(19)20)12(17)7-10/h1-7,17H,(H,16,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,15,6,3,10,13,14,7,17,20,9,16,8,18,19/E:(1,2)(3,4)(19,20)/rA:20nCCCCCCCONCCCCCCOCOOBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrNO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.08354
Area:471.263
Solvation:-3.69805
Coulombic:-64.6391
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.138
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.2
LogP (Chemaxon):3.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue