Chem 1 Chloro 6 Methoxyisoquinoline Dsrpl

Compound 240
  CheckMol                        TMF02:r0:m0
MF=C10H8ClNO MW=193.63
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5043   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2692    2.2564   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3163    2.2564   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2575    3.7607   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3280    3.7607   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.5278   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5129   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6325    4.5129   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9253    2.2799   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9370    3.7842   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2415    4.5364   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5460    3.8077   -0.0000 C   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 01  0  2  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  9 11 01  0  1  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6  8 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

1-Chloro-6-methoxyisoquinoline

₹ 0.00 0.00

Chemical Name - 1-Chloro-6-methoxyisoquinoline
Mol Weight - 193.633
Smiles - COc1ccc2c(Cl)nccc2c1

Property Name	Property Value
Mol Name	1-Chloro-6-methoxyisoquinoline
Molweight	193.633
Monoisotopic Mass	193.029441
Clogp	2.4865
Clogs	-2.944
H Acceptors	2
Total Surface Area	144.3
Relative Psa	0.14532
Polar Surface Area	22.12
Druglikeness	-1.5976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.16448
Molecular Complexity	0.67534
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	COc1ccc2c(Cl)nccc2c1
InChIKey	InChI=1S/C10H8ClNO/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3
InChI	UTZJYSXOFHCSGZ-UHFFFAOYSA-N

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1 - 1-Chloro-6-methoxyisoquinoline
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1-Chloro-6-methoxyisoquinoline