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Chemical ID: 4585626
Chemical ID:
4585626
Name [?]:
5-phenylimidazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)C2C(=O)NC(=O)N2
InChi [?]:
InChI=1/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,11,13,10,9,12/E:(2,3)(4,5)/rA:13cCCCCCCCCONCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s7s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.90605 |
Area: | 331.026 |
Solvation: | -2.36961 |
Coulombic: | -44.3225 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.172 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.26 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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