Chemical ID: 7310159

Cc1ccc(s1)C(=O)Nc2ccc(cc2)Cl
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

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Experimental Annotations

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Descriptor Annotations

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