Chemical ID: 7028858

c1cc(c(cc1c2ccc(o2)C(=O)Nc3ccc(c(c3)C(F)(F)F)[N+](=O)[O-])Cl)Cl
Chemical ID:
7028858
Name [?]:
5-(3,4-dichlorophenyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1c2ccc(o2)C(=O)Nc3ccc(c(c3)C(F)(F)F)[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C18H9Cl2F3N2O4/c19-12-3-1-9(7-13(12)20)15-5-6-16(29-15)17(26)24-10-2-4-14(25(27)28)11(8-10)18(21,22)23/h1-8H,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,16,2,17,8,9,5,20,6,15,19,3,4,18,7,10,12,21,29,28,22,23,24,14,25,13,26,27,11/E:(21,22,23)(27,28)/CRV:25.5/rA:29nCCCCCCCCCCOCONCCCCCCCFFFN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s18;d25;s25;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H9Cl2F3N2O4
All Atoms:38
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.57933
Area:609.128
Solvation:-9.64887
Coulombic:-57.8304
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

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Descriptor Annotations

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