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Chemical ID: 4220628
Chemical ID:
4220628
Name [?]:
N-(4-chloro-2-methyl-phenyl)-N'-[(4-fluorophenyl)methyleneamino]oxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C(=O)NN=Cc2ccc(cc2)F)Cl
InChi [?]:
InChI=1/C16H13ClFN3O2/c1-10-8-12(17)4-7-14(10)20-15(22)16(23)21-19-9-11-2-5-13(18)6-3-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,21,5,18,20,6,3,15,2,16,4,19,7,9,11,23,22,14,8,13,10,12/E:(2,3)(5,6)/rA:23nCCCCCCCNCOCONNCCCCCCCFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClFN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67946 |
Area: | 530.064 |
Solvation: | -3.57214 |
Coulombic: | -48.5803 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.745 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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