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Chemical ID: 4512126
Chemical ID:
4512126
Name [?]:
3-benzyl-1-(4-chlorophenyl)-imidazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)CN2C(=O)CN(C2=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H13ClN2O2/c17-13-6-8-14(9-7-13)18-11-15(20)19(16(18)21)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,17,19,16,20,7,11,4,18,15,9,13,21,12,8,10,14/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s8s12;d13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60337 |
Area: | 481.524 |
Solvation: | -2.43474 |
Coulombic: | -37.0784 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.739 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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