Chemical ID: 6693871

c1cc(ccc1C(=O)NN=Cc2ccc(o2)N(=O)=O)O
Chemical ID:
6693871
Name [?]:
4-hydroxy-N-[(5-nitro-2-furyl)methyleneamino]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NN=Cc2ccc(o2)N(=O)=O)O
InChi [?]:
InChI=1/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,11,6,3,12,15,7,10,9,17,20,8,18,19,16/E:(1,2)(3,4)(18,19)/CRV:15.5/rA:20nCCCCCCCONNCCCCCONOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;d12;s13;d14;s12s15;s15;d17;d17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:0.858954
Area:445.039
Solvation:-10.267
Coulombic:-56.2066
Bond Count [?]
All:21
Single:12
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:275.217
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.35
LogP (Chemaxon):1.8

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