COc1ccc(C#Cc2ccncc2)c2c1OC1(CCCC1)C2
SMILES: COc1ccc(C#Cc2ccncc2)c2c1OC1(CCCC1)C2

Molecular Processing

Molecular formula
C20H19NO2
Molecular weight
305.38
Exact mass
305.1416
XLogP
3.74
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
88.74

Supplementary Information

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