Chemical ID: 4726290

Cc1ccc(c2c1CC(O2)(C)C)n3c(ccc3C)C
Chemical ID:
4726290
Name [?]:
2,5-dimethyl-1-(2,2,4-trimethyl-3H-benzofuran-7-yl)-pyrrole
SMILES [?]:
Cc1ccc(c2c1CC(O2)(C)C)n3c(ccc3C)C
InChi [?]:
InChI=1/C17H21NO/c1-11-6-9-15(18-12(2)7-8-13(18)3)16-14(11)10-17(4,5)19-16/h6-9H,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,18,19,11,12,3,16,15,4,8,2,17,14,7,5,6,9,13,10/E:(2,3)(4,5)(7,8)(12,13)/rA:19nCCCCCCCCCOCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6s9;s9;s9;s5;s13;d14;s15;s13d16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.58815
Area:441.773
Solvation:-2.45616
Coulombic:-13.0088
Bond Count [?]
All:21
Single:16
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:255.355
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.24
LogP (Chemaxon):3.43

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Descriptor Annotations

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