Chemical ID: 4680468

c1ccc2c(c1)[nH]c(n2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4680468
Name [?]:
2-(3-nitrophenyl)-1H-benzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H9N3O2/c17-16(18)10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)15-13/h1-8H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,6,3,15,10,14,5,4,8,7,9,16,17,18/E:(1,2)(6,7)(11,12)(14,15)(17,18)/CRV:16.5/rA:18nCCCCCCNCNCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.5983
Area:418.689
Solvation:-6.86893
Coulombic:-29.8604
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.23
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):3.79

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