Chemical ID: 6538077

c1ccc2c(c1)[nH]c(n2)C(C#N)c3c(nc(c(n3)C#N)C#N)Cl
Chemical ID:
6538077
Name [?]:
5-(1H-benzoimidazol-2-yl-cyano-methyl)-6-chloro-pyrazine-2,3-dicarbonitrile
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)C(C#N)c3c(nc(c(n3)C#N)C#N)Cl
InChi [?]:
InChI=1/C15H6ClN7/c16-14-13(20-11(6-18)12(7-19)21-14)8(5-17)15-22-9-3-1-2-4-10(9)23-15/h1-4,8H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,19,21,10,5,4,17,16,13,14,8,23,12,20,22,18,15,7,9/E:(1,2)(3,4)(9,10)(22,23)/rA:23cCCCCCCNCNCCNCCNCCNCNCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;t11;s10;s13;d14;s15;d16;d13s17;s17;t19;s16;t21;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H6ClN7
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.0745
Area:524.929
Solvation:-3.04877
Coulombic:-37.4831
Bond Count [?]
All:25
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.708
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.94
LogP (Chemaxon):2.9

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