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Chemical ID: 7243701
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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