Chemical ID: 6644590

c1ccc(cc1)C(=O)NC(C(=O)c2cccs2)O
Chemical ID:
6644590
Name [?]:
N-[1-hydroxy-2-oxo-2-(2-thienyl)ethyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(C(=O)c2cccs2)O
InChi [?]:
InChI=1/C13H11NO3S/c15-11(10-7-4-8-18-10)13(17)14-12(16)9-5-2-1-3-6-9/h1-8,13,17H,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,14,16,4,13,11,7,10,9,12,8,18,17/E:(2,3)(5,6)/rA:18cCCCCCCCONCCOCCCCSO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;d13;s14;d15;s13s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11NO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.871
Area:445.383
Solvation:-3.26356
Coulombic:-49.9311
Bond Count [?]
All:19
Single:12
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.297
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.31
LogP (Chemaxon):1.46

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Descriptor Annotations

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