Chemical ID: 7028588

c1cc(c(cc1NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl)C(F)(F)F)[N+](=O)[O-]
Chemical ID:
7028588
Name [?]:
5-(2,4-dichlorophenyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H9Cl2F3N2O4/c19-9-1-3-11(13(20)7-9)15-5-6-16(29-15)17(26)24-10-2-4-14(25(27)28)12(8-10)18(21,22)23/h1-8H,(H,24,26)
InChi Info:
AuxInfo=1/1/N:17,1,16,2,12,11,19,5,18,6,15,4,20,3,13,10,8,23,22,21,24,25,26,7,27,9,28,29,14/E:(21,22,23)(27,28)/CRV:25.5/rA:29nCCCCCCNCOCCCCOCCCCCCClClCFFFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s18;s4;s23;s23;s23;s3;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H9Cl2F3N2O4
All Atoms:38
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.52344
Area:606.211
Solvation:-9.63185
Coulombic:-57.6474
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.176
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.58
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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