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Chemical ID: 5220777
Chemical ID:
5220777
Name [?]:
4-phenylimidazolidin-2-one
SMILES [?]:
c1ccc(cc1)C2CNC(=O)N2
InChi [?]:
InChI=1/C9H10N2O/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,7,10,9,12,11/E:(2,3)(4,5)/rA:12cCCCCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.2112 |
Area: | 319.792 |
Solvation: | -1.7836 |
Coulombic: | -36.0981 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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