Chemical ID: 5561196

CN=C1N(C(=O)C(=Cc2ccco2)S1)C
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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