Chemical ID: 7029120

c1cc(ccc1c2ccc(o2)C(=O)Nc3ccc(c(c3)Cl)C(F)(F)F)[N+](=O)[O-]
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

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Descriptor Annotations

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