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Chemical ID: 6122356
Chemical ID:
6122356
Name [?]:
(5-pyrrolidin-1-ylthiadiazol-4-yl)methanol
SMILES [?]:
C1CCN(C1)c2c(nns2)CO
InChi [?]:
InChI=1/C7H11N3OS/c11-5-6-7(12-9-8-6)10-3-1-2-4-10/h11H,1-5H2
InChi Info:
AuxInfo=1/0/N:1,2,5,3,11,7,6,8,9,4,12,10/E:(1,2)(3,4)/rA:12nCCCNCCCNNSCO/rB:s1;s2;s3;s1s4;s4;d6;s7;d8;s6s9;s7;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11N3OS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.46935 |
Area: | 335.201 |
Solvation: | -2.91068 |
Coulombic: | -25.0961 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.7 |
LogP (Chemaxon): | 0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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