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Chemical ID: 5171976
Chemical ID:
5171976
Name [?]:
1-styrylimidazole
SMILES [?]:
c1ccc(cc1)C=Cn2ccnc2
InChi [?]:
InChI=1/C11H10N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,11,8,10,13,4,12,9/E:(2,3)(4,5)/rA:13nCCCCCCCCNCCNC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.54433 |
Area: | 326.626 |
Solvation: | -1.62131 |
Coulombic: | -11.4773 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 170.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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