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Chemical ID: 5409918
Chemical ID:
5409918
Name [?]:
N-(5-chloro-2-hydroxy-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cc(ccc3O)Cl
InChi [?]:
InChI=1/C15H12ClN5O2S/c16-10-6-7-13(22)12(8-10)17-14(23)9-24-15-18-19-20-21(15)11-4-2-1-3-5-11/h1-8,22H,9H2,(H,17,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,21,18,13,19,4,17,22,14,8,24,16,9,10,11,7,23,15,12/E:(2,3)(4,5)/rA:24nCCCCCCNCNNNSCCONCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClN5O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8904 |
Area: | 559.276 |
Solvation: | -3.09154 |
Coulombic: | -44.1884 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.807 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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