Chemical ID: 4773158

Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
Chemical ID:
4773158
Name [?]:
2-(p-tolylsulfanyl)-3-pyrrol-1-yl-pyridine
SMILES [?]:
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
InChi [?]:
InChI=1/C16H14N2S/c1-13-6-8-14(9-7-13)19-16-15(5-4-10-17-16)18-11-2-3-12-18/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,12,11,3,7,4,6,13,16,19,2,5,10,9,14,15,8/E:(2,3)(6,7)(8,9)(11,12)/rA:19nCCCCCCCSCCCCCNNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s10;s15;d16;s17;s15d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.46699
Area:451.081
Solvation:-1.81003
Coulombic:-13.3367
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.362
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.16
LogP (Chemaxon):5.07

Name Annotations

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Descriptor Annotations

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