Chemical ID: 4438726

c1cc(c(cc1Br)C(=O)NCC(=O)O)O
Chemical ID:
4438726
Name [?]:
2-(5-bromo-2-hydroxy-benzoyl)aminoacetic acid
SMILES [?]:
c1cc(c(cc1Br)C(=O)NCC(=O)O)O
InChi [?]:
InChI=1/C9H8BrNO4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4H2,(H,11,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,6,4,3,12,8,7,10,15,13,14,9/E:(13,14)/rA:15nCCCCCCBrCONCCOOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;d12;s12;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrNO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.32685
Area:397.289
Solvation:-3.60538
Coulombic:-63.299
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.068
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.63
LogP (Chemaxon):1.64

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