Chemical ID: 4278576

c1cc(cc(c1)[N+](=O)[O-])C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
Chemical ID:
4278576
Name [?]:
3-nitro-N-[(5-nitro-2-furyl)methyleneamino]benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H8N4O6/c17-12(8-2-1-3-9(6-8)15(18)19)14-13-7-10-4-5-11(22-10)16(20)21/h1-7H,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,4,14,3,5,15,18,10,13,12,7,20,11,8,9,21,22,19/E:(18,19)(20,21)/CRV:15.5,16.5/rA:22nCCCCCCN+OO-CONNCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;w13;s14;d15;s16;d17;s15s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N4O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-2.803
Area:481.894
Solvation:-14.8503
Coulombic:-50.7849
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:304.215
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.4
LogP (Chemaxon):2.04

Name Annotations

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Descriptor Annotations

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