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Chemical ID: 7243634
Chemical ID:
7243634
Name [?]:
2-[4-methyl-2,5-dioxo-4-(p-tolyl)imidazolidin-1-yl]acetic acid
SMILES [?]:
Cc1ccc(cc1)C2(C(=O)N(C(=O)N2)CC(=O)O)C
InChi [?]:
InChI=1/C13H14N2O4/c1-8-3-5-9(6-4-8)13(2)11(18)15(7-10(16)17)12(19)14-13/h3-6H,7H2,1-2H3,(H,14,19)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,4,6,15,2,5,16,9,12,8,14,11,17,18,10,13/E:(3,4)(5,6)(16,17)/rA:19cCCCCCCCCCONCONCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s16;s8;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.75594 |
Area: | 435.184 |
Solvation: | -3.12367 |
Coulombic: | -67.0752 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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