SMILES:
CC(C=CC=C(C)c1ccc2c(c1)CCCN2C(C)C)=CC(=O)OMolecular Processing
Molecular formula
C21H27NO2
Molecular weight
325.45
Exact mass
325.2042
XLogP
4.84
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
101.43
Supplementary Information
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