名称: Granisetron
SMILES:
CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2Molecular Processing
Molecular formula
C18H24N4O
Molecular weight
312.42
Exact mass
312.195
XLogP
2.32
TPSA
50.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
90.39
Supplementary Information
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