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Chemical ID: 4258989
Chemical ID:
4258989
Name [?]:
4-(2-aminoethyl)benzenesulfonamide
SMILES [?]:
c1cc(ccc1CCN)S(=O)(=O)N
InChi [?]:
InChI=1/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,8,6,3,9,13,11,12,10/E:(1,2)(3,4)(11,12)/CRV:13.6/rA:13nCCCCCCCCNSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s3;d10;d10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96833 |
Area: | 368.703 |
Solvation: | -2.24924 |
Coulombic: | -28.7917 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.259 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.24 |
LogP (Chemaxon): | -0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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