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Chemical ID: 4215040
Chemical ID:
4215040
Name [?]:
1-benzylbenzoimidazole
SMILES [?]:
c1ccc(cc1)Cn2cnc3c2cccc3
InChi [?]:
InChI=1/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,7,9,4,11,12,10,8/E:(2,3)(6,7)/rA:16nCCCCCCCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74835 |
Area: | 381.472 |
Solvation: | -1.78846 |
Coulombic: | -13.8107 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 208.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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