Chemical ID: 6047824

COc1ccc(cc1)N2CC(OC2=O)CO
Chemical ID:
6047824
Name [?]:
5-(hydroxymethyl)-3-(4-methoxyphenyl)-oxazolidin-2-one
SMILES [?]:
COc1ccc(cc1)N2CC(OC2=O)CO
InChi [?]:
InChI=1/C11H13NO4/c1-15-9-4-2-8(3-5-9)12-6-10(7-13)16-11(12)14/h2-5,10,13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,10,15,6,3,11,13,9,16,14,2,12/E:(2,3)(4,5)/rA:16cCOCCCCCCNCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s9s12;d13;s11;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:4.63247
Area:395.328
Solvation:-5.25073
Coulombic:-51.3965
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.62
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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