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Chemical ID: 7029120
Chemical ID:
7029120
Name [?]:
N-[3-chloro-4-(trifluoromethyl)phenyl]-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(ccc1c2ccc(o2)C(=O)Nc3ccc(c(c3)Cl)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H10ClF3N2O4/c19-14-9-11(3-6-13(14)18(20,21)22)23-17(25)16-8-7-15(28-16)10-1-4-12(5-2-10)24(26)27/h1-9H,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,17,8,9,20,6,15,3,18,19,7,10,12,22,21,23,24,25,14,26,13,27,28,11/E:(1,2)(4,5)(20,21,22)(26,27)/CRV:24.5/rA:28nCCCCCCCCCCOCONCCCCCCClCFFFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s22;s22;s22;s3;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H10ClF3N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.01195 |
Area: | 587.523 |
Solvation: | -8.67613 |
Coulombic: | -60.9918 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.731 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.96 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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