Chemical ID: 5766494

c1ccc(c(c1)C=NNC(=O)COc2cc(ccc2Cl)Cl)OCC(=O)O
Chemical ID:
5766494
Name [?]:
2-[2-[[2-(2,5-dichlorophenoxy)acetyl]aminoiminomethyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)COc2cc(ccc2Cl)Cl)OCC(=O)O
InChi [?]:
InChI=1/C17H14Cl2N2O5/c18-12-5-6-13(19)15(7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,18,15,7,12,23,5,16,19,4,14,10,24,21,20,8,9,11,25,26,13,22/E:(23,24)/rA:26nCCCCCCCNNCOCOCCCCCCClClOCCOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s16;s4;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.30186
Area:623.681
Solvation:-8.29017
Coulombic:-59.6723
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:397.209
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.22
LogP (Chemaxon):3.34

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