Chemical ID: 7066601

c1cc(c(cc1O)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-])O
Chemical ID:
7066601
Name [?]:
2,5-dihydroxy-N-[(5-nitro-2-furyl)methyleneamino]benzamide
SMILES [?]:
c1cc(c(cc1O)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-])O
InChi [?]:
InChI=1/C12H9N3O6/c16-7-1-3-10(17)9(5-7)12(18)14-13-6-8-2-4-11(21-8)15(19)20/h1-6,16-17H,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,14,2,15,5,12,6,13,4,3,16,8,11,10,18,7,21,9,19,20,17/E:(19,20)/CRV:15.5/rA:21nCCCCCCOCONNCCCCCON+OO-O/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;w11;s12;d13;s14;d15;s13s16;s16;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3O6
All Atoms:30
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-1.80407
Area:497.354
Solvation:-14.2379
Coulombic:-67.2863
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:291.216
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.83
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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