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Chemical ID: 6396617
Chemical ID:
6396617
Name [?]:
N-(2,4-dibromophenyl)thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C11H7Br2NOS/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,13,12,14,9,3,6,16,15,8,7,4/rA:16nCCCSCCONCCCCCCBrBr/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7Br2NOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47376 |
Area: | 428.909 |
Solvation: | -1.24897 |
Coulombic: | -23.6517 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 361.053 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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