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Chemical ID: 4253314
Chemical ID:
4253314
Name [?]:
3-phenylsulfonylpyrrolidine
SMILES [?]:
c1ccc(cc1)S(=O)(=O)C2CCNC2
InChi [?]:
InChI=1/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,12,14,4,10,13,8,9,7/E:(2,3)(4,5)(12,13)/CRV:14.6/rA:14cCCCCCCSOOCCCNC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.7515 |
Area: | 363.228 |
Solvation: | -2.32922 |
Coulombic: | -13.0713 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.282 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.11 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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