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Chemical ID: 5786470
Chemical ID:
5786470
Name [?]:
2-(2-naphthylsulfonylamino)-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,19,3,5,22,17,16,24,18,4,23,15,7,8,11,9,10,13,14,12/E:(2,3)(7,8)(20,21)(22,23)/CRV:24.6/rA:24cCCCCCCCCOONSOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;d12;d12;s12;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.46362 |
Area: | 522.947 |
Solvation: | -3.61005 |
Coulombic: | -41.8165 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.382 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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