Chemical ID: 4240378

COc1ccc(cc1C(=O)Nc2cccc(c2)C(=O)O)Br
Chemical ID:
4240378
Name [?]:
3-(5-bromo-2-methoxy-benzoyl)aminobenzoic acid
SMILES [?]:
COc1ccc(cc1C(=O)Nc2cccc(c2)C(=O)O)Br
InChi [?]:
InChI=1/C15H12BrNO4/c1-21-13-6-5-10(16)8-12(13)14(18)17-11-4-2-3-9(7-11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,5,4,17,7,16,6,12,8,3,9,18,21,11,10,19,20,2/E:(19,20)/rA:21nCOCCCCCCCONCCCCCCCOOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrNO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.49301
Area:490.109
Solvation:-4.7597
Coulombic:-54.983
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.164
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.32
LogP (Chemaxon):3.16

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