Chem Quinoline 2 Carboxaldehyde

Compound 73
  CheckMol                        TMF02:r0:m0
MF=C10H7NO MW=157.17
 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
    1.2964    0.7612   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8892    0.7850   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5809   -1.4867   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1856    0.0476   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8773   -2.2241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1737   -1.4510   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4820    0.8207   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4701   -2.1884   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7784    0.0833   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7665   -1.4153   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  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
  8 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
  7  8 01  0  1  0  0
 11 12 02  0  1  0  0
M  END

Quinoline-2-Carboxaldehyde

₹ 0.00 0.00

Chemical Name - Quinoline-2-Carboxaldehyde
Mol Weight - 157.172
Smiles - O=Cc1nc2ccccc2cc1

Property Name	Property Value
Mol Name	Quinoline-2-Carboxaldehyde
Molweight	157.172
Monoisotopic Mass	157.052764
Clogp	1.9629
Clogs	-2.67
H Acceptors	2
Total Surface Area	126.16
Relative Psa	0.19031
Polar Surface Area	29.96
Druglikeness	-3.8813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.20631
Molecular Complexity	0.67384
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	1
Smiles	O=Cc1nc2ccccc2cc1
InChIKey	InChI=1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H
InChI	WPYJKGWLDJECQD-UHFFFAOYSA-N

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1 - Quinoline-2-Carboxaldehyde
2 - Quinoline-2-Carboxaldehyde

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Quinoline-2-Carboxaldehyde