Chemical ID: 7029108

Cc1ccccc1NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
7029108
Name [?]:
5-(4-nitrophenyl)-N-(o-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H14N2O4/c1-12-4-2-3-5-15(12)19-18(21)17-11-10-16(24-17)13-6-8-14(9-7-13)20(22)23/h2-11H,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,17,21,18,20,13,12,2,16,19,7,14,11,9,8,22,10,23,24,15/E:(6,7)(8,9)(22,23)/CRV:20.5/rA:24nCCCCCCCNCOCCCCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O4
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.60069
Area:535.897
Solvation:-7.79674
Coulombic:-43.495
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.315
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.64
LogP (Chemaxon):3.27

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Descriptor Annotations

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