Chemical ID: 5219331

CCC(=Cc1csc2c1cccc2)c3ccncc3
Chemical ID:
5219331
Name [?]:
4-[1-(benzothiophen-3-ylmethylene)propyl]pyridine
SMILES [?]:
CCC(=Cc1csc2c1cccc2)c3ccncc3
InChi [?]:
InChI=1/C17H15NS/c1-2-13(14-7-9-18-10-8-14)11-15-12-19-17-6-4-3-5-16(15)17/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,15,19,16,18,4,6,3,14,5,9,8,17,7/E:(7,8)(9,10)/rA:19nCCCCCCSCCCCCCCCCNCC/rB:s1;s2;w3;s4;d5;s6;s7;s5s8;d9;s10;d11;d8s12;s3;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.74336
Area:455.187
Solvation:-1.63633
Coulombic:-8.01179
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:265.374
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.7
LogP (Chemaxon):4.55

Name Annotations

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Descriptor Annotations

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