Chemical ID: 7029078

c1cc(ccc1c2ccc(o2)C(=O)Nc3ccc(c(c3)C(F)(F)F)[N+](=O)[O-])Cl
Chemical ID:
7029078
Name [?]:
5-(4-chlorophenyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(ccc1c2ccc(o2)C(=O)Nc3ccc(c(c3)C(F)(F)F)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C18H10ClF3N2O4/c19-11-3-1-10(2-4-11)15-7-8-16(28-15)17(25)23-12-5-6-14(24(26)27)13(9-12)18(20,21)22/h1-9H,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,8,9,20,6,3,15,19,18,7,10,12,21,28,22,23,24,14,25,13,26,27,11/E:(1,2)(3,4)(20,21,22)(26,27)/CRV:24.5/rA:28nCCCCCCCCCCOCONCCCCCCCFFFN+OO-Cl/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;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H10ClF3N2O4
All Atoms:38
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.00761
Area:581.077
Solvation:-9.51931
Coulombic:-57.9163
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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