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Chemical ID: 7247864
Chemical ID:
7247864
Name [?]:
methyl 1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate
SMILES [?]:
COC(=O)C1CC(CN1S(=O)(=O)c2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C12H14ClNO5S/c1-19-12(16)11-6-9(15)7-14(11)20(17,18)10-4-2-8(13)3-5-10/h2-5,9,11,15H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,17,14,18,6,8,16,7,13,5,3,19,9,20,4,11,12,2,10/E:(2,3)(4,5)(17,18)/CRV:20.6/rA:20cCOCOCCCCNSOOCCCCCCClO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14ClNO5S |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.48339 |
Area: | 479.237 |
Solvation: | -4.49753 |
Coulombic: | -42.6618 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.762 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.01 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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