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Chemical ID: 6602256
Chemical ID:
6602256
Name [?]:
1-(2-furylmethyl)-2,5-dimethyl-pyrrole
SMILES [?]:
Cc1ccc(n1Cc2ccco2)C
InChi [?]:
InChI=1/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,3,4,11,7,2,5,8,6,12/E:(1,2)(5,6)(9,10)/rA:13nCCCCCNCCCCCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;s8s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2563 |
Area: | 342.444 |
Solvation: | -2.3048 |
Coulombic: | -11.6865 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.0 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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