Chemical ID: 4932052

c1cn(cn1)C23C4C5C2C6C5C4C36
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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