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Chemical ID: 7434873
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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