ChemDB: Chemical Search
Download
Chemical ID: 6709119
Chemical ID:
6709119
Name [?]:
1-phenylsulfonylpyrrolidine-2-carboxylate
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)[O-]
InChi [?]:
InChI=1/C11H13NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,13,11,4,14,15,10,16,17,8,9,7/E:(2,3)(5,6)(13,14)(15,16)/CRV:17.6/rA:17cCCCCCCSOONCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s10s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12NO4S- |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -32.9745 |
Area: | 389.678 |
Solvation: | -42.7164 |
Coulombic: | -8.99044 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.283 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.62 |
LogP (Chemaxon): | 1.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|