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Chemical ID: 6509256
Chemical ID:
6509256
Name [?]:
5-methyl-N-phenyl-thiophen-2-amine
SMILES [?]:
Cc1ccc(s1)Nc2ccccc2
InChi [?]:
InChI=1/C11H11NS/c1-9-7-8-11(13-9)12-10-5-3-2-4-6-10/h2-8,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,3,4,2,8,5,7,6/E:(3,4)(5,6)/rA:13nCCCCCSNCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85921 |
Area: | 357.745 |
Solvation: | -1.08441 |
Coulombic: | -13.5326 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.278 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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