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Chemical ID: 6306442
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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