Chem 4 Phenyl 1236 Tetrahydropyridine Hydrochloride Ncc

Compound 113
  CheckMol                        TMF02:r0:m0
MF=C11H14ClN MW=195.69
 13 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0406   -3.6647   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603   -2.9130   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3444   -2.9012   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720   -1.4095   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3561   -1.3978   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0758   -0.6460   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0876    0.8575   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8073    1.6092   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3914    1.6092   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8190    3.1127   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4031    3.1127   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1228    3.8762   -0.0000 C   0 00  0  0  0  0  0  0  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
  4  6  1  0  1  0  0
  5  7  2  0  1  0  0
  7  8  1  0  0  0  0
  8  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 02  0  1  0  0
 11 13 02  0  1  0  0
  6  7  1  0  1  0  0
 12 13 01  0  1  0  0
M  END

4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride

₹ 0.00 0.00

Chemical Name - 4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
Mol Weight - 159.231
Smiles - C1C(c2ccccc2)=CCNC1.Cl
InChI - POGWXTJNUCZEPR-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H

Property Name	Property Value
Mol Name	4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
Molweight	159.231
Monoisotopic Mass	159.104799
Clogp	1.7243
Clogs	-1.854
H Acceptors	1
H Donors	1
Total Surface Area	137.21
Relative Psa	0.083522
Polar Surface Area	12.03
Druglikeness	0.87144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.41885
Molecular Complexity	0.59725
Fragments	2
Non H Atoms	12
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	C1C(c2ccccc2)=CCNC1.Cl
InChIKey	InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
InChI	POGWXTJNUCZEPR-UHFFFAOYSA-N

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4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride