SMILES:
CC1(C)CC(c2ccc3c(c2)OCO3)N(c2ccc(C#N)c(Cl)c2)C1Molecular Processing
Molecular formula
C20H19ClN2O2
Molecular weight
354.84
Exact mass
354.1135
XLogP
4.92
TPSA
45.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97.22
Supplementary Information
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