Chemical ID: 5127730

CC(c1cccs1)Nc2ccccc2
Chemical ID:
5127730
Name [?]:
N-[1-(2-thienyl)ethyl]aniline
SMILES [?]:
CC(c1cccs1)Nc2ccccc2
InChi [?]:
InChI=1/C12H13NS/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h2-10,13H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,5,10,14,4,6,2,9,3,8,7/E:(3,4)(6,7)/rA:14cCCCCCCSNCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.36829
Area:385.263
Solvation:-1.26328
Coulombic:-14.5485
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.304
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.97
LogP (Chemaxon):3.23

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