Chem Benzyl Trimethyl Ammonium Chloride

Compound 9
  CheckMol                        TMF02:r0:m0
MF=C10H16ClN MW=185.70
 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
   -3.5197    0.0926   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4922   -1.0420   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6774    1.0652   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5703    1.2504   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.8568   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9741   -0.7757   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4951    0.6368   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9467   -1.9103   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.9771    0.9031   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4286   -1.6440   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.9496   -0.2316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 12 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Benzyl Trimethyl Ammonium Chloride

₹ 0.00 0.00

Chemical Name - Benzyl Trimethyl Ammonium Chloride
Mol Weight - 150.244
Smiles - C[N+](C)(C)Cc1ccccc1.[Cl-]

Property Name	Property Value
Mol Name	Benzyl Trimethyl Ammonium Chloride
Molweight	150.244
Monoisotopic Mass	150.128274
Clogp	-1.6553
Clogs	-0.865
H Acceptors	1
Total Surface Area	129.68
Relative Psa	-0.05876
Druglikeness	-2.6575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.51444
Molecular Complexity	0.51299
Fragments	2
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Smiles	C[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey	InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChI	KXHPPCXNWTUNSB-UHFFFAOYSA-M

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Benzyl Trimethyl Ammonium Chloride