Chemical ID: 4790770

c1ccc2c(c1)c(=O)c3=c(c2=O)sc(c(s3)C#N)C#N
Chemical ID:
4790770
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3=c(c2=O)sc(c(s3)C#N)C#N
InChi [?]:
InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,19,5,4,15,14,7,11,9,10,18,20,8,12,16,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCOCCCOSCCSCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;d11;s10;s13;d14;s9s15;s15;t17;s14;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H4N2O2S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.6584
Area:454.924
Solvation:-3.71469
Coulombic:-22.0642
Bond Count [?]
All:22
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:296.326
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.26
LogP (Chemaxon):2.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue