Chem 3h Naphtho18 Cdisoxazole Dsrpl

Compound 163
  CheckMol                        TMF02:r0:m0
MF=C10H7NO MW=157.17
 12 14  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4915   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.4205    0.4735   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4087   -1.9414   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2965   -0.7339   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2491    1.7875   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0124   -3.3027   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762   -0.8760   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7407    1.7993   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4921   -3.4447   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3799   -2.2373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4746    0.5090   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  2  0  0
  1  3 01  0  2  0  0
  2  4 02  0  2  0  0
  3  5 02  0  2  0  0
  3  6 01  0  2  0  0
  4  7  1  0  2  0  0
  5  8 01  0  2  0  0
  6  9 02  0  2  0  0
  7 10  1  0  2  0  0
  8 11  1  0  2  0  0
  8 12 02  0  2  0  0
  4  5 01  0  2  0  0
  9 12 01  0  2  0  0
 10 11  2  0  2  0  0
M  END

3H-naphtho[1,8-cd]isoxazole

₹ 0.00 0.00

Chemical Name - 3H-naphtho[1,8-cd]isoxazole
Mol Weight - 157.172
Smiles - C(C=C1)c2noc3c2c1ccc3

Property Name	Property Value
Mol Name	3H-naphtho[1,8-cd]isoxazole
Molweight	157.172
Monoisotopic Mass	157.052764
Clogp	2.0918
Clogs	-3.195
H Acceptors	2
Total Surface Area	123.07
Relative Psa	0.20379
Polar Surface Area	26.03
Druglikeness	-0.39993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.096626
Molecular Complexity	0.77811
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	C(C=C1)c2noc3c2c1ccc3
InChIKey	InChI=1S/C10H7NO/c1-3-7-4-2-6-9-10(7)8(5-1)11-12-9/h1-4,6H,5H2
InChI	WFRBCBHCUMWYTK-UHFFFAOYSA-N

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3H-naphtho[1,8-cd]isoxazole