Chemical ID: 6306442

c1cc(sc1C(=O)NC2CC2)Br
Chemical ID:
6306442
Name [?]:
5-bromo-N-cyclopropyl-thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1C(=O)NC2CC2)Br
InChi [?]:
InChI=1/C8H8BrNOS/c9-7-4-3-6(12-7)8(11)10-5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:10,11,1,2,9,5,3,6,12,8,7,4/E:(1,2)/rA:12nCCCSCCONCCCBr/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;s9;s9s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8BrNOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:8.03541
Area:370.186
Solvation:-1.21923
Coulombic:-22.9448
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.125
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.42
LogP (Chemaxon):1.47

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Descriptor Annotations

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