Compound 86
  CheckMol                        TMF02:r0:m0
MF=C6H9N3O2 MW=155.16
 11 11  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   -1.4977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -2.2465   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.2465   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2719   -3.7442   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -1.4858   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.2347   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2419   -1.6047   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.0176   -3.7205   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2404   -2.7101   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.4797   -4.0176   -0.0000 N   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  1  0  0
  9 11 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

2D Structure

L-Histidine

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Chemical Name - L-Histidine
Mol Weight - 155.156
Smiles - N[C@@H](Cc1c[nH]cn1)C(O)=O

Property Name	Property Value
Mol Name	L-Histidine
Molweight	155.156
Monoisotopic Mass	155.069477
Clogp	-3.5054
Clogs	-0.38
H Acceptors	5
H Donors	3
Total Surface Area	120.47
Relative Psa	0.55093
Polar Surface Area	92
Druglikeness	-8.9499
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.67141
Molecular Complexity	0.65162
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	4
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	2
Basic Nitrogens	2
Acidic Oxygens	1
Smiles	N[C@@H](Cc1c[nH]cn1)C(O)=O
InChIKey	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChI	HNDVDQJCIGZPNO-YFKPBYRVSA-N

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1 — L-Histidine | 2 — L-Histidine