Chemical ID: 7244163

CCCCS(=O)(=O)NC(C)C(=O)O
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

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