Compound 105
  CheckMol                        TMF02:r0:m0
MF=C11H12N2O2 MW=204.23
 15 16  0  3  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4964   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301   -2.2446   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -2.2446   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -3.7410   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -1.4845   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8716   -2.2327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2373   -1.6033   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0141   -3.7172   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2349   -2.7077   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6886   -0.1544   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.4749   -4.0141   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.6957   -2.3871   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.1494    0.1663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.1470   -0.9382   -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 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  2  0  0
  8 11 01  0  1  0  0
  9 12 01  0  1  0  0
 10 13 01  0  1  0  0
 11 14 02  0  1  0  0
 13 15 02  0  1  0  0
 10 12 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

2D Structure

L-Tryptophan

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Chemical Name - L-Tryptophan
Mol Weight - 204.228
Smiles - N[C@@H](Cc1c[nH]c2c1cccc2)C(O)=O

Property Name	Property Value
Mol Name	L-Tryptophan
Molweight	204.228
Monoisotopic Mass	204.089878
Clogp	-1.5098
Clogs	-2.066
H Acceptors	4
H Donors	3
Total Surface Area	156.31
Relative Psa	0.35442
Polar Surface Area	79.11
Druglikeness	-10.243
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.49512
Molecular Complexity	0.70075
Fragments	1
Non H Atoms	15
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	4
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	N[C@@H](Cc1c[nH]c2c1cccc2)C(O)=O
InChIKey	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChI	QIVBCDIJIAJPQS-VIFPVBQESA-N

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1 — L-Tryptophan | 2 — L-Tryptophan