Chemical ID: 6699531

CC(C)n1c2ccccc2[nH+]c1c3c(non3)N
Chemical ID:
6699531
Name [?]:
4-(1-isopropyl-3H-benzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
CC(C)n1c2ccccc2[nH+]c1c3c(non3)N
InChi [?]:
InChI=1/C12H13N5O/c1-7(2)17-9-6-4-3-5-8(9)14-12(17)10-11(13)16-18-15-10/h3-7H,1-2H3,(H2,13,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,2,10,5,13,14,12,18,11,17,15,4,16/E:(1,2)/rA:18nCCCNCCCCCCN+CCCNONN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4d11;s12;s13;d14;s15;d13s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N5O+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-22.7814
Area:406.003
Solvation:-32.9315
Coulombic:-21.1749
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.273
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.12
LogP (Chemaxon):2.98

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