Chemical ID: 4128399

c1cc(cc(c1)Cl)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3Cl)Cl
Chemical ID:
4128399
Name [?]:
[4-[[2-(2,3-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] 3-chlorobenzoate
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C22H15Cl3N2O4/c23-16-4-1-3-15(11-16)22(29)31-17-9-7-14(8-10-17)12-26-27-20(28)13-30-19-6-2-5-18(24)21(19)25/h1-12H,13H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,27,25,13,15,12,16,4,17,22,14,3,5,11,28,24,20,29,8,7,31,30,18,19,21,9,23,10/E:(7,8)(9,10)/rA:31nCCCCCCClCOOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Cl3N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.3208
Area:721.192
Solvation:-6.70894
Coulombic:-47.0975
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:477.724
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.04
LogP (Chemaxon):5.8

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Descriptor Annotations

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