名称: product
SMILES:
Nc1ccc2nc(N3CCCCC3)ccc2c1Molecular Processing
Molecular formula
C14H17N3
Molecular weight
227.31
Exact mass
227.1422
XLogP
2.81
TPSA
42.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
72.22
Supplementary Information
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