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Chemical ID: 4084784
Chemical ID:
4084784
Name [?]:
1-(1-methylbenzoimidazol-2-yl)ethanone
SMILES [?]:
CC(=O)c1nc2ccccc2n1C
InChi [?]:
InChI=1/C10H10N2O/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,8,9,7,10,2,6,11,4,5,12,3/rA:13nCCOCNCCCCCCNC/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67334 |
Area: | 335.653 |
Solvation: | -1.71799 |
Coulombic: | -21.6487 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 174.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.47 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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