Chemical ID: 7247066

COC(=O)C1CC(CN1S(=O)(=O)c2ccc3ccccc3c2)O
Chemical ID:
7247066
Name [?]:
methyl 4-hydroxy-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylate
SMILES [?]:
COC(=O)C1CC(CN1S(=O)(=O)c2ccc3ccccc3c2)O
InChi [?]:
InChI=1/C16H17NO5S/c1-22-16(19)15-9-13(18)10-17(15)23(20,21)14-7-6-11-4-2-3-5-12(11)8-14/h2-8,13,15,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,15,14,22,6,8,16,21,7,13,5,3,9,23,4,11,12,2,10/E:(20,21)/CRV:23.6/rA:23cCOCOCCCCNSOOCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;d10;s10;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO5S
All Atoms:40
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:8.00529
Area:502.866
Solvation:-4.56637
Coulombic:-43.4859
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.376
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.66
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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