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Chemical ID: 4932052
Chemical ID:
4932052
Name [?]:
1-cuban-1-ylimidazole
SMILES [?]:
c1cn(cn1)C23C4C5C2C6C5C4C36
InChi [?]:
InChI=1/C11H10N2/c1-2-13(3-12-1)11-8-5-4-6(8)10(11)7(4)9(5)11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,4,11,8,10,12,9,7,13,6,5,3/E:(5,6,7)(8,9,10)/rA:13nCCNCNCCCCCCCC/rB:d1;s2;s3;s1d4;s3;s6;s7;s6s8;s9;s8s10;s7s11;s6s10s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4073 |
Area: | 314.509 |
Solvation: | -1.45541 |
Coulombic: | -10.0643 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.08 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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