Chemical ID: 7156901

c1ccc(c(c1)N)SCc2cccc(c2)F
Chemical ID:
7156901
Name [?]:
2-[(3-fluorophenyl)methylsulfanyl]aniline
SMILES [?]:
c1ccc(c(c1)N)SCc2cccc(c2)F
InChi [?]:
InChI=1/C13H12FNS/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8H,9,15H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,6,3,15,9,10,14,5,4,16,7,8/rA:16nCCCCCCNSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12FNS
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.97668
Area:408.303
Solvation:-2.23089
Coulombic:-23.3856
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.55
LogP (Chemaxon):3.73

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue