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Chemical ID: 6745742
Chemical ID:
6745742
Name [?]:
(3-hydroxyphenyl)-[3-[(3-hydroxyphenyl)carbamoyl]phenyl]sulfonyl-azanide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)[N-]c2cccc(c2)O)C(=O)Nc3cccc(c3)O
InChi [?]:
InChI=1/C19H15N2O5S/c22-16-7-2-5-14(11-16)20-19(24)13-4-1-9-18(10-13)27(25,26)21-15-6-3-8-17(23)12-15/h1-12,22-23H,(H,20,24)/q-1
InChi Info:
AuxInfo=1/1/N:1,23,13,2,22,12,24,14,6,4,26,16,3,21,11,25,15,5,18,20,10,27,17,19,8,9,7/E:(25,26)/CRV:21-1,27.6/rA:27nCCCCCCSOON-CCCCCCOCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s15;s3;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N2O5S- |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.436 |
Area: | 590.681 |
Solvation: | -36.203 |
Coulombic: | -28.7896 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.399 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.72 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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