Chemical ID: 6384709

Cc1cccc(c1NC(=O)COc2ccc(cc2)Cl)C(=O)O
Chemical ID:
6384709
Name [?]:
2-[2-(4-chlorophenoxy)acetyl]amino-3-methyl-benzoic acid
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C16H14ClNO4/c1-10-3-2-4-13(16(20)21)15(10)18-14(19)9-22-12-7-5-11(17)6-8-12/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,17,14,18,11,2,16,13,6,9,7,20,19,8,10,21,22,12/E:(5,6)(7,8)(20,21)/rA:22nCCCCCCCNCOCOCCCCCCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s6;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.40074
Area:514.804
Solvation:-4.46937
Coulombic:-56.2285
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.739
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):3.38

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