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Chemical ID: 4910847
Chemical ID:
4910847
Name [?]:
None
SMILES [?]:
c1cc2c(nc1)Sc3cccnc3S2
InChi [?]:
InChI=1/C10H6N2S2/c1-3-7-9(11-5-1)14-8-4-2-6-12-10(8)13-7/h1-6H
InChi Info:
AuxInfo=1/0/N:1,10,2,9,6,11,3,8,4,13,5,12,14,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCNCSCCCCNCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s3s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2S2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30805 |
Area: | 355.522 |
Solvation: | -1.58001 |
Coulombic: | -12.041 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 218.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.06 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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