Name: buspirone
SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1Molecular Processing
Molecular formula
C21H31N5O2
Molecular weight
385.51
Exact mass
385.2478
XLogP
2.09
TPSA
69.64
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
106.77
Supplementary Information
Details werden geladen…
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