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Chemical ID: 5234032
Chemical ID:
5234032
Name [?]:
1-benzyl-3-(3-chlorophenyl)-imidazolidine-2,4,5-trione
SMILES [?]:
c1ccc(cc1)CN2C(=O)C(=O)N(C2=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C16H11ClN2O3/c17-12-7-4-8-13(9-12)19-15(21)14(20)18(16(19)22)10-11-5-2-1-3-6-11/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,3,5,19,17,21,7,4,20,16,9,11,14,22,8,13,10,12,15/E:(2,3)(5,6)/rA:22nCCCCCCCNCOCONCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s8s13;d14;s13;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0529 |
Area: | 487.934 |
Solvation: | -2.14542 |
Coulombic: | -49.6611 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.723 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.74 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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