Chemical ID: 4281521

Cc1ccc(cc1)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
Chemical ID:
4281521
Name [?]:
4-methyl-N-[(5-nitro-2-furyl)methyleneamino]benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H11N3O4/c1-9-2-4-10(5-3-9)13(17)15-14-8-11-6-7-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,15,12,2,5,13,16,8,11,10,18,9,19,20,17/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20nCCCCCCCCONNCCCCCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;d13;s14;d15;s13s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:1.73319
Area:449.239
Solvation:-9.49779
Coulombic:-41.0546
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:273.244
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.07
LogP (Chemaxon):2.56

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Descriptor Annotations

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