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Chemical ID: 5569251
Chemical ID:
5569251
Name [?]:
2-phenyl-3,5-dihydroimidazol-4-one
SMILES [?]:
c1ccc(cc1)C2=NCC(=O)N2
InChi [?]:
InChI=1/C9H8N2O/c12-8-6-10-9(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,4,10,7,8,12,11/E:(2,3)(4,5)/rA:12nCCCCCCCNCCON/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.06047 |
Area: | 322.858 |
Solvation: | -2.01097 |
Coulombic: | -27.4204 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.173 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.62 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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