Chem 2 Amino 1 Phenylpropan 1 One Hydrochloride AlkaliMetal

Compound 262
  CheckMol                        TMF02:r0:m0
MF=C9H12ClNO MW=185.65
 12 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.8298    1.4969   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3563    1.2514   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8534   -0.1520   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.3973    2.4208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8358   -1.2981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3798   -0.3976   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9236    3.8476   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237    2.1753   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3329   -2.7015   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8769   -1.8010   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8593   -2.9471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 12 01  0  1  0  0
M  END

2-Amino-1-Phenylpropan-1-One Hydrochloride

₹ 0.00 0.00

Chemical Name - 2-Amino-1-Phenylpropan-1-One Hydrochloride
Mol Weight - 149.192
Smiles - CC(C(c1ccccc1)=O)N.Cl

Property Name	Property Value
Mol Name	2-Amino-1-Phenylpropan-1-One Hydrochloride
Molweight	149.192
Monoisotopic Mass	149.084064
Clogp	0.5656
Clogs	-2.247
H Acceptors	2
H Donors	1
Total Surface Area	124.29
Relative Psa	0.22777
Polar Surface Area	43.09
Druglikeness	-1.5019
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.54055
Molecular Complexity	0.6089
Fragments	2
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(C(c1ccccc1)=O)N.Cl
InChIKey	InChI=1S/C9H11NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7H,10H2,1H3;1H
InChI	HPZCAKYHISJOIK-UHFFFAOYSA-N

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2-Amino-1-Phenylpropan-1-One Hydrochloride