SMILES:
COc1cc(C(C#N)CCCC#N)cc(OC)c1OCMolecular Processing
Molecular formula
C15H18N2O3
Molecular weight
274.32
Exact mass
274.1317
XLogP
3.01
TPSA
75.27
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
73.92
Supplementary Information
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