Chemical ID: 4404864

Cc1ccccc1NC(=O)C=Cc2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4404864
Name [?]:
3-[5-(4-nitrophenyl)-2-furyl]-N-(o-tolyl)prop-2-enamide
SMILES [?]:
Cc1ccccc1NC(=O)C=Cc2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H16N2O4/c1-14-4-2-3-5-18(14)21-20(23)13-11-17-10-12-19(26-17)15-6-8-16(9-7-15)22(24)25/h2-13H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,19,23,20,22,14,12,15,11,2,18,21,13,7,16,9,8,24,10,25,26,17/E:(6,7)(8,9)(24,25)/CRV:22.5/rA:26nCCCCCCCNCOCCCCCCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:4.90053
Area:547.818
Solvation:-8.79492
Coulombic:-40.2037
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:348.352
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):3.86

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Descriptor Annotations

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