Chemical ID: 7029122

CCc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
7029122
Name [?]:
N-(4-ethylphenyl)-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H16N2O4/c1-2-13-3-7-15(8-4-13)20-19(22)18-12-11-17(25-18)14-5-9-16(10-6-14)21(23)24/h3-12H,2H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,18,22,5,7,19,21,14,13,3,17,6,20,15,12,10,9,23,11,24,25,16/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:21.5/rA:25nCCCCCCCCNCOCCCCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O4
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.26427
Area:563.699
Solvation:-7.8282
Coulombic:-43.6816
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.341
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.32
LogP (Chemaxon):4.32

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Descriptor Annotations

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