Chemical ID: 6517163

c1cc(ccc1N=C2NC(=O)CS2)F
Chemical ID:
6517163
Name [?]:
2-(4-fluorophenyl)iminothiazolidin-4-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)CS2)F
InChi [?]:
InChI=1/C9H7FN2OS/c10-6-1-3-7(4-2-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,12,3,6,10,8,14,7,9,11,13/E:(1,2)(3,4)/rA:14nCCCCCCNCNCOCSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s8s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7FN2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.11644
Area:359.704
Solvation:-2.87615
Coulombic:-29.501
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:210.229
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.11
LogP (Chemaxon):2.31

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Descriptor Annotations

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