Chem 2h Azuleno18 Cdisoxazole Dsrpl

Compound 162
  CheckMol                        TMF02:r0:m0
MF=C10H7NO MW=157.17
 12 14  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4898   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4188    0.4729   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4070   -1.9391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2938   -0.7331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0928    1.8681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2820   -3.1451   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7126   -1.1824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.5234    2.2820   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7008   -2.6721   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.8122   -0.0828   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7294    1.4070   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  2  0  0
  1  3  1  0  2  0  0
  2  4  1  0  2  0  0
  3  5 01  0  2  0  0
  3  6 02  0  2  0  0
  4  7 01  0  2  0  0
  5  8 01  0  2  0  0
  6  9 01  0  2  0  0
  7 10 02  0  2  0  0
  8 11 02  0  2  0  0
  9 12 02  0  2  0  0
  4  5 02  0  2  0  0
  8 10 01  0  2  0  0
 11 12 01  0  2  0  0
M  END

2H-azuleno[1,8-cd]isoxazole

₹ 0.00 0.00

Chemical Name - 2H-azuleno[1,8-cd]isoxazole
Mol Weight - 157.172
Smiles - C1=CC(NO2)=C3C2=CC=CC=C13

Property Name	Property Value
Mol Name	2H-azuleno[1,8-cd]isoxazole
Molweight	157.172
Monoisotopic Mass	157.052764
Clogp	1.0297
Clogs	-2.378
H Acceptors	2
H Donors	1
Total Surface Area	119.8
Relative Psa	0.17913
Polar Surface Area	21.26
Druglikeness	0.92485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.039433
Molecular Complexity	0.78115
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	3
Small Rings	3
Sp3 Atoms	2
Smiles	C1=CC(NO2)=C3C2=CC=CC=C13
InChIKey	InChI=1S/C10H7NO/c1-2-4-9-10-7(3-1)5-6-8(10)11-12-9/h1-6,11H
InChI	PNUABPMSLFPSRJ-UHFFFAOYSA-N

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1 - 2H-azuleno[1,8-cd]isoxazole
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2H-azuleno[1,8-cd]isoxazole