Chem Naphthalene 27 Dicarboxaldehyde Dsrpl

Compound 255
  CheckMol                        TMF02:r0:m0
MF=C12H8O2 MW=184.19
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4836   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3187   -2.2253   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6256   -1.4718   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3305   -3.7089   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9326   -2.2136   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6374   -4.4507   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9444   -3.6971   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2395   -1.4600   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2513   -4.4389   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5465   -2.2018   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5582   -3.6853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8534   -1.4365   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1603   -2.1782   -0.0000 O   0  0  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
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7  8 01  0  1  0  0
 11 12 02  0  1  0  0
M  END

Naphthalene-2,7-dicarboxaldehyde

₹ 0.00 0.00

Chemical Name - Naphthalene-2,7-dicarboxaldehyde
Mol Weight - 184.194
Smiles - O=Cc1ccc(ccc(C=O)c2)c2c1

Property Name	Property Value
Mol Name	Naphthalene-2,7-dicarboxaldehyde
Molweight	184.194
Monoisotopic Mass	184.05243
Clogp	2.7206
Clogs	-3.87
H Acceptors	2
Total Surface Area	146.94
Relative Psa	0.17749
Polar Surface Area	34.14
Druglikeness	-4.225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.64286
Molecular Flexibility	0.28234
Molecular Complexity	0.67279
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Symmetric Atoms	6
Smiles	O=Cc1ccc(ccc(C=O)c2)c2c1
InChIKey	InChI=1S/C12H8O2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-8H
InChI	WSPGRORDDACGQK-UHFFFAOYSA-N

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Naphthalene-2,7-dicarboxaldehyde