Chem L Asparagine Monohydrate 2

Compound 72
  CheckMol                        TMF02:r0:m0
MF=C4H10N2O4 MW=150.13
 10  8  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -1.2782   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    1.3255   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7162    1.3373   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675    2.6392   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013    3.9528   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    3.9647   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4439    5.2665   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3435    1.9883   -0.0000 O   0  0  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  2  0  0  0  0
  7  9  1  0  0  0  0
M  END

L-Asparagine Monohydrate

₹ 0.00 0.00

Chemical Name - L-Asparagine Monohydrate
Mol Weight - 132.119
Smiles - N[C@@H](CC(N)=O)C(O)=O.O

Property Name	Property Value
Mol Name	L-Asparagine Monohydrate
Molweight	132.119
Monoisotopic Mass	132.053493
Clogp	-4.2108
Clogs	-0.227
H Acceptors	5
H Donors	3
Total Surface Area	98.65
Relative Psa	0.70674
Polar Surface Area	106.41
Druglikeness	-13.655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.71142
Molecular Complexity	0.62123
Fragments	2
Non H Atoms	9
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	3
Sp3 Atoms	4
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	N[C@@H](CC(N)=O)C(O)=O.O
InChIKey	InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1
InChI	RBMGJIZCEWRQES-DKWTVANSSA-N

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1 - L-Asparagine Monohydrate
2 - L-Asparagine Monohydrate

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L-Asparagine Monohydrate