Chemical ID: 6709119

c1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)[O-]
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

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Descriptor Annotations

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