名称: product
SMILES:
CC1CCN(Cc2ccccc2)CC1N(C)c1ncnc2[nH]ccc12Molecular Processing
Molecular formula
C20H25N5
Molecular weight
335.46
Exact mass
335.211
XLogP
3.3
TPSA
48.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
101.58
Supplementary Information
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