Chemical ID: 4508294

CN(c1ccccc1C(=O)O)C(=O)COc2ccc(cc2)Cl
Chemical ID:
4508294
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-methyl-amino]benzoic acid
SMILES [?]:
CN(c1ccccc1C(=O)O)C(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-18(14-5-3-2-4-13(14)16(20)21)15(19)10-22-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,18,20,17,21,14,19,16,8,3,12,9,22,2,13,10,11,15/E:(6,7)(8,9)(20,21)/rA:22nCNCCCCCCCOOCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s2;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.99818
Area:511.884
Solvation:-4.79893
Coulombic:-51.6916
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):2.68

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