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Chemical ID: 5127730
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
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Experimental Annotations
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Descriptor Annotations
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