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Chemical ID: 5187162
Chemical ID:
5187162
Name [?]:
5-[(5-bromo-2-ethoxy-phenyl)methylene]imidazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1C=C2C(=O)NC(=O)N2)Br
InChi [?]:
InChI=1/C12H11BrN2O3/c1-2-18-10-4-3-8(13)5-7(10)6-9-11(16)15-12(17)14-9/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,10,9,7,11,4,12,15,18,17,14,13,16,3/rA:18nCCOCCCCCCCCCONCONBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11BrN2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73666 |
Area: | 433.334 |
Solvation: | -3.09669 |
Coulombic: | -51.1474 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 311.131 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.21 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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