Chemical ID: 4926553

c1ccc(cc1)CS(=O)c2ccccc2Cn3cccc3
Chemical ID:
4926553
Name [?]:
1-[(2-benzylsulfinylphenyl)methyl]pyrrole
SMILES [?]:
c1ccc(cc1)CS(=O)c2ccccc2Cn3cccc3
InChi [?]:
InChI=1/C18H17NOS/c20-21(15-16-8-2-1-3-9-16)18-11-5-4-10-17(18)14-19-12-6-7-13-19/h1-13H,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,19,20,3,5,14,11,18,21,16,7,4,15,10,17,9,8/E:(2,3)(6,7)(8,9)(12,13)/rA:21cCCCCCCCSOCCCCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;d18;s19;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NOS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.40116
Area:486.987
Solvation:-2.77351
Coulombic:-12.1743
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.4
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.99
LogP (Chemaxon):3.56

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