이름: compound
SMILES:
CCCN(CCC)CCCCc1nc2ccc(C#N)cc2n1C(C)CMolecular Processing
Molecular formula
C21H32N4
Molecular weight
340.52
Exact mass
340.2627
XLogP
4.93
TPSA
44.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
104.79
Supplementary Information
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