Chemical ID: 7090646

CC(c1ccccc1)NCc2cccs2
Chemical ID:
7090646
Name [?]:
1-phenyl-N-(2-thienylmethyl)ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cccs2
InChi [?]:
InChI=1/C13H15NS/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13/h2-9,11,14H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,13,4,8,12,14,10,2,3,11,9,15/E:(3,4)(6,7)/rA:15cCCCCCCCCNCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NS
All Atoms:30
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:9.01189
Area:416.379
Solvation:-1.3976
Coulombic:-11.992
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:217.331
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.83
LogP (Chemaxon):3.18

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Descriptor Annotations

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