Chemical ID: 5108546

c1ccc2c(c1)C=Cc3ccccc3S2
Chemical ID:
5108546
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=Cc3ccccc3S2
InChi [?]:
InChI=1/C14H10S/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10H
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,5,9,4,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:15nCCCCCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.28484
Area:368.01
Solvation:-0.915418
Coulombic:-4.51607
Bond Count [?]
All:17
Single:10
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:210.295
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.41
LogP (Chemaxon):4.72

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Descriptor Annotations

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