Chem L Phenyl Alanine 2pa Pacific

Compound 115
  CheckMol                        TMF02:r0:m0
MF=C9H11NO2 MW=165.19
 12 12  0  1  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2464   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2464   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2718   -3.7440   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.4857   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747   -2.2345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8628   -3.7321   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1702   -1.4738   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1584   -4.4809   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4658   -2.2226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4539   -3.7202   -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  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  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
 11 12 01  0  1  0  0
M  END

L-Phenyl Alanine

₹ 0.00 0.00

Chemical Name - L-Phenyl Alanine
Mol Weight - 165.191
Smiles - N[C@@H](Cc1ccccc1)C(O)=O

Property Name	Property Value
Mol Name	L-Phenyl Alanine
Molweight	165.191
Monoisotopic Mass	165.078979
Clogp	-1.5492
Clogs	-1.541
H Acceptors	3
H Donors	2
Total Surface Area	132.14
Relative Psa	0.31338
Polar Surface Area	63.32
Druglikeness	-11.045
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.59071
Molecular Complexity	0.50742
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	N[C@@H](Cc1ccccc1)C(O)=O
InChIKey	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI	COLNVLDHVKWLRT-QMMMGPOBSA-N

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L-Phenyl Alanine