Chemical ID: 7243701

c1cc2c(cc1S(=O)(=O)NCCC(=O)O)CCCC2
Chemical ID:
7243701
Name [?]:
3-tetralin-2-ylsulfonylaminopropanoic acid
SMILES [?]:
c1cc2c(cc1S(=O)(=O)NCCC(=O)O)CCCC2
InChi [?]:
InChI=1/C13H17NO4S/c15-13(16)7-8-14-19(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,14H,1-4,7-8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,2,1,12,11,5,3,4,6,13,10,14,15,8,9,7/E:(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCOOCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;d13;s13;s4;s16;s17;s3s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO4S
All Atoms:36
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.70973
Area:468.056
Solvation:-2.99166
Coulombic:-37.7683
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.87
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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