이름: 4-Amino-3-{[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]amino}benzonitrile
SMILES:
N#Cc1ccc(N)c(NC2CCN(C3CCOCC3)CC2)c1Molecular Processing
Molecular formula
C17H24N4O
Molecular weight
300.41
Exact mass
300.195
XLogP
2.2
TPSA
74.31
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
87.63
Supplementary Information
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