Chem 8 Trifluoromethylisoquinolin 3 Amine Dsrpl

Compound 295
  CheckMol                        TMF02:r0:m0
MF=C10H7F3N2 MW=212.18
 15 16  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347   -1.2916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263   -0.5332   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694   -2.5833   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -2.0263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5925   -3.5194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.8960   -1.2561   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9078   -4.2541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.6991   -4.2660   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2113   -1.9908   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9197   -5.7472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2232   -3.4957   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.6873   -5.7590   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6280   -6.4937   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6399   -7.9868   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 01  0  2  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 11 14 01  0  1  0  0
 14 15  1  0  0  0  0
 10 12 02  0  1  0  0
 13 14 02  0  1  0  0
M  END

8-(Trifluoromethyl)isoquinolin-3-amine

₹ 0.00 0.00

Chemical Name - 8-(Trifluoromethyl)isoquinolin-3-amine
Mol Weight - 212.174
Smiles - Nc1ncc(c(C(F)(F)F)ccc2)c2c1

Property Name	Property Value
Mol Name	8-(Trifluoromethyl)isoquinolin-3-amine
Molweight	212.174
Monoisotopic Mass	212.056132
Clogp	2.3755
Clogs	-3.806
H Acceptors	2
H Donors	1
Total Surface Area	144.6
Relative Psa	0.18147
Polar Surface Area	38.91
Druglikeness	-8.995
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53333
Molecular Flexibility	0.30454
Molecular Complexity	0.75619
Fragments	1
Non H Atoms	15
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	Nc1ncc(c(C(F)(F)F)ccc2)c2c1
InChIKey	InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-6-4-9(14)15-5-7(6)8/h1-5H,(H2,14,15)
InChI	CYOPFIOCKFMNHI-UHFFFAOYSA-N

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8-(Trifluoromethyl)isoquinolin-3-amine