Chemical ID: 4085903

Cc1ccc(c(c1)Br)NC(=O)c2cccs2
Chemical ID:
4085903
Name [?]:
N-(2-bromo-4-methyl-phenyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cccs2
InChi [?]:
InChI=1/C12H10BrNOS/c1-8-4-5-10(9(13)7-8)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,3,4,15,7,2,6,5,12,10,8,9,11,16/rA:16nCCCCCCCBrNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10BrNOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.21371
Area:420.128
Solvation:-1.28949
Coulombic:-23.8707
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.184
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.25
LogP (Chemaxon):3.13

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Descriptor Annotations

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