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Chemical ID: 4693035
Chemical ID:
4693035
Name [?]:
1-benzyloxyimidazole
SMILES [?]:
c1ccc(cc1)COn2ccnc2
InChi [?]:
InChI=1/C10H10N2O/c1-2-4-10(5-3-1)8-13-12-7-6-11-9-12/h1-7,9H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,10,7,13,4,12,9,8/E:(2,3)(4,5)/rA:13nCCCCCCCONCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.70294 |
Area: | 350.864 |
Solvation: | -3.06866 |
Coulombic: | -10.9317 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 174.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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