Chemical ID: 4407520

c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccc(c(c3)Cl)F)[N+](=O)[O-]
Chemical ID:
4407520
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-5-(2-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccc(c(c3)Cl)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H10ClFN2O4/c18-12-9-10(5-6-13(12)19)20-17(22)16-8-7-15(25-16)11-3-1-2-4-14(11)21(23)24/h1-9H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,8,9,20,15,5,19,18,4,7,10,12,21,22,14,23,13,24,25,11/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCCOCONCCCCCCClFN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10ClFN2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.82504
Area:536.518
Solvation:-8.58791
Coulombic:-44.9894
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.723
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.2
LogP (Chemaxon):4.11

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