Chem N 4 Acetyl 3 Hydroxy Phenylacetamide Ncc

Compound 115
  CheckMol                        TMF02:r0:m0
MF=C10H11NO3 MW=193.20
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    0.7573   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797    0.0237   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    2.2720   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695    0.7810   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8577    2.2957   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1594    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1475    3.0649   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4492    0.8165   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1357    4.5795   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4374    2.3312   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7272    3.0885   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7154    4.6032   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0171    2.3548   -0.0000 C   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
  3  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

N-(4-acetyl-3-hydroxy phenyl)acetamide

₹ 0.00 0.00

Chemical Name - N-(4-acetyl-3-hydroxy phenyl)acetamide
Mol Weight - 193.201
Smiles - CC(c(ccc(NC(C)=O)c1)c1O)=O
InChI - ZSSHNMZQDWSUJJ-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H11NO3/c1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h3-5,14H,1-2H3,(H,11,13)

Property Name	Property Value
Mol Name	N-(4-acetyl-3-hydroxy phenyl)acetamide
Molweight	193.201
Monoisotopic Mass	193.073894
Clogp	0.8888
Clogs	-2.346
H Acceptors	4
H Donors	2
Total Surface Area	151.09
Relative Psa	0.33516
Polar Surface Area	66.4
Druglikeness	0.51365
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Shape Index	0.64286
Molecular Flexibility	0.41205
Molecular Complexity	0.62239
Fragments	1
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Amides	1
Smiles	CC(c(ccc(NC(C)=O)c1)c1O)=O
InChIKey	InChI=1S/C10H11NO3/c1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h3-5,14H,1-2H3,(H,11,13)
InChI	ZSSHNMZQDWSUJJ-UHFFFAOYSA-N

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N-(4-acetyl-3-hydroxy phenyl)acetamide