Chemical ID: 6401836

COc1ccc(cc1)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
Chemical ID:
6401836
Name [?]:
4-methoxy-N-[(5-nitro-2-furyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H11N3O5/c1-20-10-4-2-9(3-5-10)13(17)15-14-8-11-6-7-12(21-11)16(18)19/h2-8H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,15,16,13,6,3,14,17,9,12,11,19,10,20,21,2,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:21nCOCCCCCCCONNCCCCCON+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;d14;s15;d16;s14s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:0.71115
Area:465.856
Solvation:-10.9352
Coulombic:-47.2066
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:289.244
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.55
LogP (Chemaxon):1.84

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