SMILES:
c1ccc2c(c1)CCCCC2Nc1nc2ccccc2[nH]1Molecular Processing
Molecular formula
C18H19N3
Molecular weight
277.37
Exact mass
277.1579
XLogP
4.44
TPSA
40.71
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
86.45
Supplementary Information
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