Chemical ID: 5160810

c1ccc2c(c1)-c3cscc3C2=O
Chemical ID:
5160810
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3cscc3C2=O
InChi [?]:
InChI=1/C11H6OS/c12-11-8-4-2-1-3-7(8)9-5-13-6-10(9)11/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,10,5,4,7,11,12,13,9/rA:13nCCCCCCCCSCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7d10;s4s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.93284
Area:336.556
Solvation:-1.48106
Coulombic:-10.4908
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:186.231
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.77
LogP (Chemaxon):2.58

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Experimental Annotations

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Descriptor Annotations

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