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Chemical ID: 7029108
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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