Chem R 4 Phenyl Oxazolidin 2 One Pacific

Compound 118
  CheckMol                        TMF02:r0:m0
MF=C9H9NO2 MW=163.18
 12 13  0  2  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -0.1424   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2190   -1.4358   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4801    0.9849   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786   -1.1154   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447    0.3797   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1382    1.1392   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4316    0.3916   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1263    2.6581   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7250    1.1510   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4197    3.4175   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7132    2.6699   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  6  7  1  6  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
  5  6  1  0  1  0  0
 11 12 01  0  1  0  0
M  END

R-4-Phenyl Oxazolidin 2-One

₹ 0.00 0.00

Chemical Name - R-4-Phenyl Oxazolidin 2-One
Mol Weight - 163.175
Smiles - O=C1OC[C@@H](c2ccccc2)N1

Property Name	Property Value
Mol Name	R-4-Phenyl Oxazolidin 2-One
Molweight	163.175
Monoisotopic Mass	163.063329
Clogp	1.1102
Clogs	-2.006
H Acceptors	3
H Donors	1
Total Surface Area	125.23
Relative Psa	0.27549
Polar Surface Area	38.33
Druglikeness	-13.596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.32979
Molecular Complexity	0.61893
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Amides	1
Smiles	O=C1OC[C@@H](c2ccccc2)N1
InChIKey	InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChI	QDMNNMIOWVJVLY-MRVPVSSYSA-N

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2 - R-4-Phenyl Oxazolidin 2-One

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R-4-Phenyl Oxazolidin 2-One