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Chemical ID: 5561196
Chemical ID:
5561196
Name [?]:
5-(2-furylmethylene)-3-methyl-2-methylimino-thiazolidin-4-one
SMILES [?]:
CN=C1N(C(=O)C(=Cc2ccco2)S1)C
InChi [?]:
InChI=1/C10H10N2O2S/c1-11-10-12(2)9(13)8(15-10)6-7-4-3-5-14-7/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,11,10,12,8,9,7,5,3,2,4,6,13,14/rA:15nCNCNCOCCCCCCOSC/rB:s1;w2;s3;s4;d5;s5;w7;s8;d9;s10;d11;s9s12;s3s7;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.85107 |
Area: | 376.283 |
Solvation: | -3.55601 |
Coulombic: | -27.8224 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 2 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.65 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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