Chem 1 Hydroxybenzotriazole Hydrate Gmfine

Compound 13
  CheckMol                        TMF02:r0:m0
MF=C6H7N3O2 MW=153.14
 11 11  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945    0.5200   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.6236   -0.3073   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.7963    1.9736   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6263   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.2854    2.0327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.9927    3.2617   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9826    3.3681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.6900    4.5971   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1790    4.6562   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.6180    2.1745   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 02  0  2  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  5  6 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

1-Hydroxybenzotriazole hydrate

₹ 0.00 0.00

Chemical Name - 1-Hydroxybenzotriazole hydrate
Mol Weight - 135.126
Smiles - On1nnc2c1cccc2.O

Property Name	Property Value
Mol Name	1-Hydroxybenzotriazole hydrate
Molweight	135.126
Monoisotopic Mass	135.043262
Clogp	0.6152
Clogs	-2.901
H Acceptors	4
H Donors	1
Total Surface Area	100.93
Relative Psa	0.41524
Polar Surface Area	50.94
Druglikeness	-4.8353
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.6
Molecular Complexity	0.75224
Fragments	2
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	3
Basic Nitrogens	1
Smiles	On1nnc2c1cccc2.O
InChIKey	InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
InChI	PJUPKRYGDFTMTM-UHFFFAOYSA-N

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1 - 1-Hydroxybenzotriazole hydrate
2 - 1-Hydroxybenzotriazole hydrate

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1-Hydroxybenzotriazole hydrate