Chemical ID: 4704607

c1ccc(cc1)C(=O)Nc2nc(ns2)O
Chemical ID:
4704607
Name [?]:
N-(3-hydroxy-1,2,4-thiadiazol-5-yl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2nc(ns2)O
InChi [?]:
InChI=1/C9H7N3O2S/c13-7(6-4-2-1-3-5-6)10-9-11-8(14)12-15-9/h1-5H,(H2,10,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,12,10,9,11,13,8,15,14/E:(2,3)(4,5)/rA:15nCCCCCCCONCNCNSO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N3O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.27791
Area:384.813
Solvation:-2.34241
Coulombic:-50.5586
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.237
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.18
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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