Chemical ID: 5843755

c1cc(ccc1C=NNC(=O)COc2ccc(cc2Cl)Cl)C(=O)O
Chemical ID:
5843755
Name [?]:
4-[[2-(2,4-dichlorophenoxy)acetyl]aminoiminomethyl]benzoic acid
SMILES [?]:
c1cc(ccc1C=NNC(=O)COc2ccc(cc2Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C16H12Cl2N2O4/c17-12-5-6-14(13(18)7-12)24-9-15(21)20-19-8-10-1-3-11(4-2-10)16(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,18,7,12,6,3,17,19,14,10,22,21,20,8,9,11,23,24,13/E:(1,2)(3,4)(22,23)/rA:24nCCCCCCCNNCOCOCCCCCCClClCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl2N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.97811
Area:584.282
Solvation:-6.62894
Coulombic:-53.2865
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:367.183
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.53
LogP (Chemaxon):3.57

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