Chem 4 Hydroxyquinoline Ncc

Compound 84
  CheckMol                        TMF02:r0:m0
MF=C9H7NO MW=145.16
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122   -0.7448   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3240   -2.2343   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6244    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6362   -2.9672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9791   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9366   -0.7093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9484   -2.2107   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6481   -4.4568   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4686   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3595   -5.2015   -0.0000 C   0 00  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 02  0  1  0  0
  3  5 01  0  2  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10 01  0  1  0  0
  9 11 01  0  1  0  0
  7  8 02  0  1  0  0
 10 11 02  0  1  0  0
M  END

4-Hydroxyquinoline

₹ 0.00 0.00

Chemical Name - 4-Hydroxyquinoline
Mol Weight - 145.161
Smiles - Oc1ccnc2ccccc12
InChI - PMZDQRJGMBOQBF-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

Property Name	Property Value
Mol Name	4-Hydroxyquinoline
Molweight	145.161
Monoisotopic Mass	145.052764
Clogp	1.6299
Clogs	-2.026
H Acceptors	2
H Donors	1
Total Surface Area	112.97
Relative Psa	0.21307
Polar Surface Area	33.12
Druglikeness	-1.88
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.69573
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	Oc1ccnc2ccccc12
InChIKey	InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChI	PMZDQRJGMBOQBF-UHFFFAOYSA-N

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4-Hydroxyquinoline