Chemical ID: 6171541

COc1ccc(cc1NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl)Cl
Chemical ID:
6171541
Name [?]:
N-(5-chloro-2-methoxy-phenyl)-N'-[(2,4-dichlorophenyl)methyleneamino]oxamide
SMILES [?]:
COc1ccc(cc1NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O3/c1-25-14-5-4-11(18)7-13(14)21-15(23)16(24)22-20-8-9-2-3-10(17)6-12(9)19/h2-8H,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,18,19,5,4,21,7,16,17,20,6,22,8,3,10,12,24,25,23,15,9,14,11,13,2/rA:25nCOCCCCCCNCOCONNCCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3126
Area:601.542
Solvation:-3.72598
Coulombic:-52.749
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:400.643
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.81
LogP (Chemaxon):4.28

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