Chem 4 Hydroxy Coumarin Dsrpl

Compound 165
  CheckMol                        TMF02:r0:m0
MF=C9H6O3 MW=162.14
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979   -0.7502   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2860   -2.2505   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    2.5959    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5840   -2.9888   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8938   -0.7383   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8819   -2.2267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5721   -4.4892   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1917    0.0238   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1798   -2.9769   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8700   -5.2394   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1679   -4.4773   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
  6  7 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

4-Hydroxy Coumarin

₹ 0.00 0.00

Chemical Name - 4-Hydroxy Coumarin
Mol Weight - 162.144
Smiles - OC(c(cccc1)c1O1)=CC1=O

Property Name	Property Value
Mol Name	4-Hydroxy Coumarin
Molweight	162.144
Monoisotopic Mass	162.031695
Clogp	1.1152
Clogs	-1.903
H Acceptors	3
H Donors	1
Total Surface Area	118.57
Relative Psa	0.3048
Polar Surface Area	46.53
Druglikeness	-2.8254
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.1253
Molecular Complexity	0.74432
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Smiles	OC(c(cccc1)c1O1)=CC1=O
InChIKey	InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChI	VXIXUWQIVKSKSA-UHFFFAOYSA-N

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4-Hydroxy Coumarin