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Chemical ID: 4840924
Chemical ID:
4840924
Name [?]:
5-[[4-[(2-oxooxazolidin-5-yl)methoxy]phenoxy]methyl]oxazolidin-2-one
SMILES [?]:
c1cc(ccc1OCC2CNC(=O)O2)OCC3CNC(=O)O3
InChi [?]:
InChI=1/C14H16N2O6/c17-13-15-5-11(21-13)7-19-9-1-2-10(4-3-9)20-8-12-6-16-14(18)22-12/h1-4,11-12H,5-8H2,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,10,18,8,16,6,3,9,17,12,20,11,19,13,21,7,15,14,22/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22cCCCCCCOCCCNCOOOCCCNCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;d12;s9s12;s3;s15;s16;s17;s18;s19;d20;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O6 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.006 |
Area: | 516.489 |
Solvation: | -7.90623 |
Coulombic: | -78.1437 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.287 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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