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Chemical ID: 7341985
Chemical ID:
7341985
Name [?]:
2-(1H-imidazol-2-yl)-1-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)Cc2[nH]ccn2
InChi [?]:
InChI=1/C11H10N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,9,4,7,10,11,14,8/E:(2,3)(4,5)(6,7)(12,13)/rA:14nCCCCCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;d10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O |
All Atoms: | 24 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76621 |
Area: | 361.898 |
Solvation: | -3.28124 |
Coulombic: | -22.6136 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.21 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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