Chemical ID: 5810488

Cc1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)O
Chemical ID:
5810488
Name [?]:
3-[2-(4-methylphenoxy)acetyl]aminobenzoic acid
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C16H15NO4/c1-11-5-7-14(8-6-11)21-10-15(18)17-13-4-2-3-12(9-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,3,7,4,6,18,9,2,17,13,5,10,19,12,11,20,21,8/E:(5,6)(7,8)(19,20)/rA:21nCCCCCCCOCCONCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.41318
Area:494.661
Solvation:-4.95335
Coulombic:-55.6024
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.73
LogP (Chemaxon):2.86

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