Chemical ID: 6729178

c1ccc2c(c1)[nH]c([nH+]2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6729178
Name [?]:
2-(3-nitrophenyl)-1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)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)/p+1
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:18nCCCCCCNCN+CCCCCCN+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:C13H10N3O2+
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-28.0266
Area:418.414
Solvation:-38.487
Coulombic:-16.4537
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.238
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.19
LogP (Chemaxon):3.79

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