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Chemical ID: 5138756
Chemical ID:
5138756
Name [?]:
3-[(2-amino-3-thienyl)methylene]tetrahydrofuran-2-one
SMILES [?]:
c1csc(c1C=C2CCOC2=O)N
InChi [?]:
InChI=1/C9H9NO2S/c10-8-6(2-4-13-8)5-7-1-3-12-9(7)11/h2,4-5H,1,3,10H2
InChi Info:
AuxInfo=1/0/N:8,1,9,2,6,5,7,4,11,13,12,10,3/rA:13nCCSCCCCCCOCON/rB:d1;s2;s3;s1d4;s5;w6;s7;s8;s9;s7s10;d11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9NO2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.9164 |
Area: | 352.308 |
Solvation: | -2.8913 |
Coulombic: | -35.2698 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.239 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.52 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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