Chem 1 Benzhydryl Azetidin 3 Ol

Compound 48
  CheckMol                        TMF02:r0:m0
MF=C16H17NO MW=239.32
 18 20  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893    0.7570   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    2.2238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324    0.3785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    1.8452   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002    2.6023   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6895    1.8689   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3884    4.1163   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6777    0.3785   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9788    2.6259   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6777    4.8733   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0754    4.8733   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9670   -0.3667   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.2681    1.8807   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6658    6.3874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0636    6.3874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.2563    0.3903   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3529    7.1444   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17 02  0  1  0  0
 15 18 02  0  1  0  0
  4  5  1  0  1  0  0
 14 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

1-Benzhydryl Azetidin-3-Ol

₹ 0.00 0.00

Chemical Name - 1-Benzhydryl Azetidin-3-Ol
Mol Weight - 239.317
Smiles - OC(C1)CN1C(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	1-Benzhydryl Azetidin-3-Ol
Molweight	239.317
Monoisotopic Mass	239.131014
Clogp	2.5952
Clogs	-2.407
H Acceptors	2
H Donors	1
Total Surface Area	188.69
Relative Psa	0.08824
Polar Surface Area	23.47
Druglikeness	3.2613
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.38484
Molecular Complexity	0.60895
Fragments	1
Non H Atoms	18
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	6
Symmetric Atoms	9
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	OC(C1)CN1C(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
InChI	MMAJXKGUZYDTHV-UHFFFAOYSA-N

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1 - 1-Benzhydryl Azetidin-3-Ol
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1-Benzhydryl Azetidin-3-Ol