Name: 4-[2-hydroxyadamant-2-yl-1-(1,2,4-triazolyl)methyl]benzonitrile
SMILES:
N#Cc1ccc(C(c2nc[nH]n2)C2(O)C3CC4CC(C3)CC2C4)cc1Molecular Processing
Molecular formula
C20H22N4O
Molecular weight
334.42
Exact mass
334.1794
XLogP
3
TPSA
85.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
91.38
Supplementary Information
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