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Chemical ID: 6517163
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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