ChemDB: Chemical Search
Download
Chemical ID: 7092231
Chemical ID:
7092231
Name [?]:
4-fluoro-N-(2-thienylmethyl)aniline
SMILES [?]:
c1cc(sc1)CNc2ccc(cc2)F
InChi [?]:
InChI=1/C11H10FNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,12,9,13,5,6,11,8,3,14,7,4/E:(3,4)(5,6)/rA:14nCCCSCCNCCCCCCF/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10FNS |
All Atoms: | 24 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3913 |
Area: | 378.796 |
Solvation: | -2.07859 |
Coulombic: | -17.2629 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.95 |
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 |
---|