Name: 5-ethynyl-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILES:
C#Cn1c2c(c3cc(C)ccc31)CN(C)CC2Molecular Processing
Molecular formula
C15H16N2
Molecular weight
224.31
Exact mass
224.1313
XLogP
2.38
TPSA
8.17
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70.94
Supplementary Information
Details werden geladen…
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