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Chemical ID: 6302554
Chemical ID:
6302554
Name [?]:
N'-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyleneamino]oxamide
SMILES [?]:
c1cc(ccc1C=NNC(=O)C(=O)Nc2cc(ccc2Cl)Cl)F
InChi [?]:
InChI=1/C15H10Cl2FN3O2/c16-10-3-6-12(17)13(7-10)20-14(22)15(23)21-19-8-9-1-4-11(18)5-2-9/h1-8H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,19,16,7,6,17,3,20,15,12,10,22,21,23,8,14,9,13,11/E:(1,2)(4,5)/rA:23nCCCCCCCNNCOCONCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87601 |
Area: | 540.022 |
Solvation: | -3.62454 |
Coulombic: | -48.9364 |
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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