Chemical ID: 6177573

CC(=O)c1cccc(c1)NC(=O)c2ccc(s2)Cl
Chemical ID:
6177573
Name [?]:
N-(3-acetylphenyl)-5-chloro-thiophene-2-carboxamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)c2ccc(s2)Cl
InChi [?]:
InChI=1/C13H10ClNO2S/c1-8(16)9-3-2-4-10(7-9)15-13(17)11-5-6-12(14)18-11/h2-7H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,14,15,9,2,4,8,13,16,11,18,10,3,12,17/rA:18nCCOCCCCCCNCOCCCCSCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;d13;s14;d15;s13s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClNO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.73332
Area:465.389
Solvation:-2.9014
Coulombic:-30.0731
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.743
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.11
LogP (Chemaxon):2.27

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