COc1ccc2c(c1OC)CC(C1CCCCC1)CC2(O)CN
SMILES: COc1ccc2c(c1OC)CC(C1CCCCC1)CC2(O)CN

Molecular Processing

Molecular formula
C19H29NO3
Molecular weight
319.45
Exact mass
319.2147
XLogP
2.99
TPSA
64.71
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
90.88

Supplementary Information

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