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Chemical ID: 4974523
Chemical ID:
4974523
Name [?]:
sulfoaminocycloheptane
SMILES [?]:
C1CCCC(CC1)NS(=O)(=O)O
InChi [?]:
InChI=1/C7H15NO3S/c9-12(10,11)8-7-5-3-1-2-4-6-7/h7-8H,1-6H2,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,3,6,4,5,8,10,11,12,9/E:(1,2)(3,4)(5,6)(9,10,11)/CRV:12.6/rA:12nCCCCCCCNSOOO/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;d9;d9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15NO3S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.78016 |
Area: | 337.097 |
Solvation: | -1.64727 |
Coulombic: | -23.6841 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.265 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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