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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value