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Compound 346
  CheckMol                        TMF02:r0:m0
MF=C17H25N MW=243.39
 18 20  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342   -0.7452   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120    1.5386   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063   -0.3846   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -1.5025   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6685    0.0361   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -2.2598   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982    2.3079   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6204    0.0240   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361   -3.0170   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2381   -0.9135   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0027   -0.7092   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6805   -3.0050   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6084    1.5626   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2741   -3.7743   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5963   -1.4785   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0147   -2.2237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -3.0050   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  1  0  0
  1  4  1  0  1  0  0
  2  5  1  0  0  0  0
  2  6  1  0  1  0  0
  2  7  1  0  1  0  0
  3  8  1  0  1  0  0
  4  9  1  0  1  0  0
  5 10 02  0  1  0  0
  5 11 01  0  1  0  0
  6 12  1  0  1  0  0
  7 13  1  0  1  0  0
  8 14  1  0  1  0  0
 10 15 01  0  1  0  0
 11 16 02  0  1  0  0
 12 17  1  0  1  0  0
 15 18 02  0  1  0  0
  9 14  1  0  1  0  0
 13 17  1  0  1  0  0
 16 18 01  0  1  0  0
M  END

Crystal

₹ 0.00 0.00

Chemical Name - Crystal
Mol Weight - 243.392
Smiles - C(CC1)CCC1(c1ccccc1)N1CCCCC1

Property Name	Property Value
Mol Name	Crystal
Molweight	243.392
Monoisotopic Mass	243.198699
Clogp	4.1372
Clogs	-3.467
H Acceptors	1
Total Surface Area	204.57
Relative Psa	0.017353
Polar Surface Area	3.24
Druglikeness	-0.43123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.42996
Molecular Complexity	0.66071
Fragments	1
Non H Atoms	18
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	12
Symmetric Atoms	6
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	C(CC1)CCC1(c1ccccc1)N1CCCCC1
InChIKey	InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
InChI	JTJMJGYZQZDUJJ-UHFFFAOYSA-N

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Crystal