Chem 27 Dihydroxynaphthalene Ncc

Compound 101
  CheckMol                        TMF02:r0:m0
MF=C10H8O2 MW=160.17
 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
    1.2976   -0.7500   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5952    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2857   -2.2500   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8929   -0.7381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5833   -3.0000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8810   -2.2381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1905    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1786   -2.9762   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4881   -0.7262   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4762   -2.2143   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7857    0.0357   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  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 01  0  2  0  0
  5  8 02  0  1  0  0
  7  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12  1  0  0  0  0
  6  7 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

2,7-Dihydroxynaphthalene

₹ 0.00 0.00

Chemical Name - 2,7-Dihydroxynaphthalene
Mol Weight - 160.172
Smiles - Oc1ccc(ccc(O)c2)c2c1
InChI - DFQICHCWIIJABH-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H

Property Name	Property Value
Mol Name	2,7-Dihydroxynaphthalene
Molweight	160.172
Monoisotopic Mass	160.05243
Clogp	2.1626
Clogs	-2.63
H Acceptors	2
H Donors	2
Total Surface Area	120.56
Relative Psa	0.21732
Polar Surface Area	40.46
Druglikeness	-2.2721
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Complexity	0.68786
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	2
Symmetric Atoms	5
Smiles	Oc1ccc(ccc(O)c2)c2c1
InChIKey	InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
InChI	DFQICHCWIIJABH-UHFFFAOYSA-N

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2,7-Dihydroxynaphthalene