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Chemical ID: 6174730
Chemical ID:
6174730
Name [?]:
N-[(2-chlorophenyl)methyleneamino]-N'-(3,4-dichlorophenyl)-oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C15H10Cl3N3O2/c16-11-4-2-1-3-9(11)8-19-21-15(23)14(22)20-10-5-6-12(17)13(18)7-10/h1-8H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,20,7,5,15,4,18,19,12,10,23,22,21,8,14,9,13,11/rA:23nCCCCCCCNNCOCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl3N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3582 |
Area: | 560.049 |
Solvation: | -2.64303 |
Coulombic: | -46.1374 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.617 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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