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Chemical ID: 7465251
Chemical ID:
7465251
Name [?]:
3-oxo-3-pyrrolidin-1-yl-propanethioamide
SMILES [?]:
C1CCN(C1)C(=O)CC(=S)N
InChi [?]:
InChI=1/C7H12N2OS/c8-6(11)5-7(10)9-3-1-2-4-9/h1-5H2,(H2,8,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,8,9,6,11,4,7,10/E:(1,2)(3,4)/rA:11nCCCNCCOCCSN/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H12N2OS |
All Atoms: | 23 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94424 |
Area: | 328.481 |
Solvation: | -2.26779 |
Coulombic: | -31.0317 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 172.249 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.6 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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