SMILES:
O=C(O)c1ccc(COc2ccc3c(c2)CCC(CCN2CCCCC2)C3)cc1Molecular Processing
Molecular formula
C25H31NO3
Molecular weight
393.53
Exact mass
393.2304
XLogP
4.94
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
114.6
Supplementary Information
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