Chemical ID: 7434873

C(#N)c1c(c2c(c(n1)Cl)sc(=O)s2)Cl
Chemical ID:
7434873
Name [?]:
2,5-dichloro-8-oxo-7,9-dithia-4-azabicyclo[4.3.0]nona-1,3,5-triene-3-carbonitrile
SMILES [?]:
C(#N)c1c(c2c(c(n1)Cl)sc(=O)s2)Cl
InChi [?]:
InChI=1/C7Cl2N2OS2/c8-3-2(1-10)11-6(9)5-4(3)13-7(12)14-5
InChi Info:
AuxInfo=1/0/N:1,3,4,5,6,7,11,14,9,2,8,12,13,10/rA:14nCNCCCCCNClSCOSCl/rB:t1;s1;s3;d4;s5;d6;d3s7;s7;s6;s10;d11;s5s11;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7Cl2N2OS2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.7187
Area:396.888
Solvation:-2.20351
Coulombic:-18.7585
Bond Count [?]
All:15
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:263.125
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.99
LogP (Chemaxon):3.61

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