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Chemical ID: 5190876
Chemical ID:
5190876
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CSc3c2cccc3
InChi [?]:
InChI=1/C13H10S/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,7,5,4,10,9,8/rA:14nCCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78001 |
Area: | 348.621 |
Solvation: | -0.935511 |
Coulombic: | -3.92053 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 198.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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