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Chemical ID: 6734485
Chemical ID:
6734485
Name [?]:
(4-aminophenyl)sulfonyl-(4-ethoxyphenyl)-azanide
SMILES [?]:
CCOc1ccc(cc1)[N-]S(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C14H15N2O3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10H,2,15H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,2,16,18,6,8,5,9,15,19,17,7,4,14,20,10,12,13,3,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:16-1,20.6/rA:20nCCOCCCCCCN-SOOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N2O3S- |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.1713 |
Area: | 482.994 |
Solvation: | -35.2462 |
Coulombic: | 1.45505 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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