Chem N Acetyl Dl Tryptophan Molychem

Compound 353
  CheckMol                        TMF02:r0:m0
MF=C13H14N2O3 MW=246.27
 18 19  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    0.7583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830    0.0237   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    2.2750   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355    3.0333   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    3.0333   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    4.5499   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627    2.2987   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2441    5.3083   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3626    5.3083   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253    2.9267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0049    0.8176   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2206    1.8247   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6756    4.3722   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.4623    0.5213   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.6780    2.1446   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.1330    4.6921   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.1283    3.5902   -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  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11 01  0  1  0  0
  8 12 02  0  1  0  0
 11 13 02  0  2  0  0
 11 14 01  0  1  0  0
 12 15 01  0  1  0  0
 13 16 01  0  1  0  0
 14 17 02  0  1  0  0
 16 18 02  0  1  0  0
 13 15 01  0  1  0  0
 17 18 01  0  1  0  0
M  END

N-Acetyl-Dl-Tryptophan

₹ 0.00 0.00

Chemical Name - N-Acetyl-Dl-Tryptophan
Mol Weight - 246.265
Smiles - CC(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O

Property Name	Property Value
Mol Name	N-Acetyl-Dl-Tryptophan
Molweight	246.265
Monoisotopic Mass	246.100443
Clogp	0.6252
Clogs	-2.264
H Acceptors	5
H Donors	3
Total Surface Area	189.26
Relative Psa	0.34149
Polar Surface Area	82.19
Druglikeness	-13.411
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.55556
Molecular Flexibility	0.53812
Molecular Complexity	0.73452
Fragments	1
Non H Atoms	18
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	4
Amides	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	CC(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O
InChIKey	InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
InChI	DZTHIGRZJZPRDV-UHFFFAOYSA-N

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N-Acetyl-Dl-Tryptophan