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Chemical ID: 7244163
Chemical ID:
7244163
Name [?]:
2-butylsulfonylaminopropanoic acid
SMILES [?]:
CCCCS(=O)(=O)NC(C)C(=O)O
InChi [?]:
InChI=1/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,10,2,3,4,9,11,8,12,13,6,7,5/E:(9,10)(11,12)/CRV:13.6/rA:13cCCCCSOONCCCOO/rB:s1;s2;s3;s4;d5;d5;s5;s8;s9;s9;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15NO4S |
All Atoms: | 28 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.27893 |
Area: | 386.219 |
Solvation: | -3.37654 |
Coulombic: | -36.5616 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.264 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.61 |
LogP (Chemaxon): | 0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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