Chem 2 Aminomethyl Chromane Dsrpl

Compound 198
  CheckMol                        TMF02:r0:m0
MF=C10H13NO MW=163.22
 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
   -1.3146   -0.7343   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2910   -0.7461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -2.2266   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6293    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2791   -2.2384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411   -2.9609   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9609   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9439   -0.6988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8729   -0.7225   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558   -2.1911   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4 02  0  2  0  0
  2  5 01  0  1  0  0
  3  6  1  0  1  0  0
  3  7  1  0  0  0  0
  4  8 01  0  1  0  0
  4  9  1  0  1  0  0
  5 10 02  0  1  0  0
  7 11  1  0  0  0  0
  8 12 02  0  1  0  0
  6  9  1  0  1  0  0
 10 12 01  0  1  0  0
M  END

2-aminomethyl-chromane

₹ 0.00 0.00

Chemical Name - 2-aminomethyl-chromane
Mol Weight - 163.219
Smiles - NCC(CC1)Oc2c1cccc2

Property Name	Property Value
Mol Name	2-aminomethyl-chromane
Molweight	163.219
Monoisotopic Mass	163.099714
Clogp	1.2276
Clogs	-2.2
H Acceptors	2
H Donors	1
Total Surface Area	132.06
Relative Psa	0.19135
Polar Surface Area	35.25
Druglikeness	-1.42
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.30314
Molecular Complexity	0.70325
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	NCC(CC1)Oc2c1cccc2
InChIKey	InChI=1S/C10H13NO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7,11H2
InChI	BSRHATGBRQMDRF-UHFFFAOYSA-N

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1 - 2-aminomethyl-chromane
2 - 2-aminomethyl-chromane

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2-aminomethyl-chromane