Chemical ID: 4397168

c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4397168
Name [?]:
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H10Cl2N2O4/c18-13-3-1-2-12(16(13)19)14-8-9-15(25-14)17(22)20-10-4-6-11(7-5-10)21(23)24/h1-9H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,10,11,17,20,3,5,9,12,4,14,7,8,16,23,15,24,25,13/E:(4,5)(6,7)(23,24)/CRV:21.5/rA:25nCCCCCCClClCCCCOCONCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl2N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.76146
Area:569.827
Solvation:-7.48421
Coulombic:-43.9619
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.178
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):4.49

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