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Chemical ID: 5235088
Chemical ID:
5235088
Name [?]:
2-[(4-methoxy-1-cyclohexa-1,4-dienyl)methyl]-1H-pyrrole
SMILES [?]:
COC1=CCC(=CC1)Cc2ccc[nH]2
InChi [?]:
InChI=1/C12H15NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h2-4,7-8,13H,5-6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,7,5,8,4,13,9,6,10,3,14,2/rA:14nCOCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d6;s3s7;s6;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7582 |
Area: | 368.85 |
Solvation: | -2.46304 |
Coulombic: | -18.2678 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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