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Chemical ID: 7310159
Chemical ID:
7310159
Name [?]:
N-(4-chlorophenyl)-5-methyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C12H10ClNOS/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h2-7H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,12,14,11,15,4,2,13,10,5,7,16,9,8,6/E:(3,4)(5,6)/rA:16nCCCCCSCONCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClNOS |
All Atoms: | 26 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39042 |
Area: | 434.239 |
Solvation: | -1.46556 |
Coulombic: | -23.6995 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.733 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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