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Chemical ID: 7189469
Chemical ID:
7189469
Name [?]:
1-methylsulfonylpyrrolidine-2-carbohydrazide
SMILES [?]:
CS(=O)(=O)N1CCCC1C(=O)NN
InChi [?]:
InChI=1/C6H13N3O3S/c1-13(11,12)9-4-2-3-5(9)6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,10,13,12,5,11,3,4,2/E:(11,12)/CRV:13.6/rA:13cCSOONCCCCCONN/rB:s1;d2;d2;s2;s5;s6;s7;s5s8;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H13N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.00571 |
Area: | 346.838 |
Solvation: | -5.66525 |
Coulombic: | -28.6091 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.252 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.56 |
LogP (Chemaxon): | -1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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