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Chemical ID: 5157014

Chemical ID:

5157014

Name [?]:

2-[1-(4-chlorophenyl)-2,5-dioxo-imidazolidin-4-yl]acetic acid

SMILES [?]:

c1cc(ccc1N2C(=O)C(NC2=O)CC(=O)O)Cl

InChi [?]:

InChI=1/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)

InChi Info:

AuxInfo=1/1/N:2,4,1,5,14,3,6,10,15,8,12,18,11,7,16,17,9,13/E:(1,2)(3,4)(15,16)/rA:18cCCCCCCNCOCNCOCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s7s11;d12;s10;s14;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₉ClN₂O₄
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	7.86084
Area:	433.048
Solvation:	-2.96536
Coulombic:	-64.7213

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	268.653
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.65
LogP (Chemaxon):	1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value