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Chemical ID: 6939254
Chemical ID:
6939254
Name [?]:
N-(4-hydroxyphenyl)ethanesulfonamide
SMILES [?]:
CCS(=O)(=O)Nc1ccc(cc1)O
InChi [?]:
InChI=1/C8H11NO3S/c1-2-13(11,12)9-7-3-5-8(10)6-4-7/h3-6,9-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,12,9,11,7,10,6,13,4,5,3/E:(3,4)(5,6)(11,12)/CRV:13.6/rA:13nCCSOONCCCCCCO/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11NO3S |
All Atoms: | 24 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.70778 |
Area: | 355.098 |
Solvation: | -3.16967 |
Coulombic: | -25.5825 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.244 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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