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Chemical ID: 6171541
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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