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Chemical ID: 3969099
Chemical ID:
3969099
Name [?]:
benzo[d]isoxazol-3-ylmethanesulfonamide
SMILES [?]:
c1ccc2c(c1)c(no2)CS(=O)(=O)N
InChi [?]:
InChI=1/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,7,4,14,8,12,13,9,11/E:(11,12)/CRV:14.6/rA:14nCCCCCCCNOCSOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;d11;d11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.8217 |
Area: | 356.773 |
Solvation: | -4.09762 |
Coulombic: | -17.7859 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.227 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.47 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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