Chem 4 Di1h Indol 3 Ylmethylaniline Dsrpl

Compound 399
  CheckMol                        TMF02:r0:m0
MF=C23H19N3 MW=337.42
 26 30  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7537   -1.2837   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0128    1.1188   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2259   -0.9657   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3062   -2.6969   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3907    0.5182   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2387   -2.0610   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3190   -3.7922   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6980    1.2719   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912   -3.4742   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7098    2.7794   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0052    0.5417   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4261    3.5331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0170    3.5331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3832    1.1659   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1701   -0.9304   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4378    5.0406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0288    5.0406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3960    0.0707   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.8542    2.6027   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6423   -1.2248   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7451    5.7943   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.8681    0.3886   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.3264    2.9207   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7569    7.3018   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3392    1.8254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4 02  0  2  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10 02  0  1  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13 02  0  1  0  0
 11 14 01  0  1  0  0
 12 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17 01  0  1  0  0
 14 18 02  0  1  0  0
 15 19 02  0  2  0  0
 15 20 01  0  1  0  0
 16 21 01  0  1  0  0
 17 22 02  0  1  0  0
 19 23 01  0  1  0  0
 20 24 02  0  1  0  0
 22 25  1  0  0  0  0
 23 26 02  0  1  0  0
  4  6 01  0  1  0  0
  8 10 01  0  1  0  0
 18 22 01  0  1  0  0
 19 21 01  0  1  0  0
 24 26 01  0  1  0  0
M  END

4-(di(1H-indol-3-yl)methyl)aniline

₹ 0.00 0.00

Chemical Name - 4-(di(1H-indol-3-yl)methyl)aniline
Mol Weight - 337.425
Smiles - Nc1ccc(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cc1

Property Name	Property Value
Mol Name	4-(di(1H-indol-3-yl)methyl)aniline
Molweight	337.425
Monoisotopic Mass	337.157897
Clogp	3.7584
Clogs	-4.986
H Acceptors	3
H Donors	3
Total Surface Area	262.14
Relative Psa	0.16499
Polar Surface Area	57.6
Druglikeness	0.14886
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.42308
Molecular Flexibility	0.21672
Molecular Complexity	0.89504
Fragments	1
Non H Atoms	26
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3 Atoms	1
Symmetric Atoms	11
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
Smiles	Nc1ccc(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cc1
InChIKey	InChI=1S/C23H19N3/c24-16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H,24H2
InChI	HREHWSJVCSFPRX-UHFFFAOYSA-N

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1 - 4-(di(1H-indol-3-yl)methyl)aniline
2 - 4-(di(1H-indol-3-yl)methyl)aniline

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4-(di(1H-indol-3-yl)methyl)aniline