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Chemical ID: 5659710
Chemical ID:
5659710
Name [?]:
2-(1-naphthylmethyl)-1,3,4,5-tetrahydroimidazole
SMILES [?]:
c1ccc2c(c1)cccc2CC3=[NH+]CCN3
InChi [?]:
InChI=1/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,14,15,11,5,10,4,12,13,16/E:(8,9)(15,16)/rA:16nCCCCCCCCCCCCN+CCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N2+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.2926 |
Area: | 381.384 |
Solvation: | -31.8271 |
Coulombic: | -4.84211 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.282 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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