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Chemical ID: 6390120
Chemical ID:
6390120
Name [?]:
5-bromo-N-[1-[3-(2,2,2-trifluoroacetyl)aminophenyl]ethylideneamino]furan-2-carboxamide
SMILES [?]:
CC(=NNC(=O)c1ccc(o1)Br)c2cccc(c2)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C15H11BrF3N3O3/c1-8(21-22-13(23)11-5-6-12(16)25-11)9-3-2-4-10(7-9)20-14(24)15(17,18)19/h2-7H,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,8,9,18,2,13,17,7,10,5,20,22,12,23,24,25,19,3,4,6,21,11/E:(17,18,19)/rA:25nCCNNCOCCCCOBrCCCCCCNCOCFFF/rB:s1;w2;s3;s4;d5;s5;d7;s8;d9;s7s10;s10;s2;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11BrF3N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5081 |
Area: | 555.048 |
Solvation: | -4.36809 |
Coulombic: | -70.6395 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 418.165 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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