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Chemical ID: 6350117
Chemical ID:
6350117
Name [?]:
N-(1-naphthyl)ethanesulfonamide
SMILES [?]:
CCS(=O)(=O)Nc1cccc2c1cccc2
InChi [?]:
InChI=1/C12H13NO2S/c1-2-16(14,15)13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,9,16,10,13,8,11,12,7,6,4,5,3/E:(14,15)/CRV:16.6/rA:16nCCSOONCCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58618 |
Area: | 393.144 |
Solvation: | -2.24242 |
Coulombic: | -11.9748 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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