Chemical ID: 5190876

c1ccc-2c(c1)CSc3c2cccc3
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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