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Chemical ID: 4797234
Chemical ID:
4797234
Name [?]:
1-(4-chloro-1,2,5-thiadiazol-3-yl)piperidine
SMILES [?]:
C1CCN(CC1)c2c(nsn2)Cl
InChi [?]:
InChI=1/C7H10ClN3S/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,7,12,9,11,4,10/E:(2,3)(4,5)/rA:12nCCCNCCCCNSNCl/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s9;d7s10;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10ClN3S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81304 |
Area: | 340.011 |
Solvation: | -0.687236 |
Coulombic: | -16.7442 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.693 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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