ChemDB: Chemical Search
Download
Chemical ID: 4679945
Chemical ID:
4679945
Name [?]:
2-methyl-5-tetralin-1-yl-thiophene
SMILES [?]:
Cc1ccc(s1)C2CCCc3c2cccc3
InChi [?]:
InChI=1/C15H16S/c1-11-9-10-15(16-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,9,16,10,13,8,3,4,2,11,12,7,5,6/rA:16cCCCCCSCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.07913 |
Area: | 401.47 |
Solvation: | -0.957612 |
Coulombic: | -3.32243 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 228.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.46 |
LogP (Chemaxon): | 4.16 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|