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Chemical ID: 6414381
Chemical ID:
6414381
Name [?]:
N'-[(2,3-dichlorophenyl)methyleneamino]-N-(2-fluorophenyl)-oxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C(=O)NN=Cc2cccc(c2Cl)Cl)F
InChi [?]:
InChI=1/C15H10Cl2FN3O2/c16-10-5-3-4-9(13(10)17)8-19-21-15(23)14(22)20-12-7-2-1-6-11(12)18/h1-8H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:2,1,17,16,18,3,6,14,15,19,4,5,20,8,10,22,21,23,13,7,12,9,11/rA:23nCCCCCCNCOCONNCCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0011 |
Area: | 530.115 |
Solvation: | -3.25179 |
Coulombic: | -49.9318 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.163 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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