Nom: 3-carboxymethyl-3methyl-1,2,3,4-tetrahydro-4-phenanthron
SMILES:
CC1(CC(=O)O)CCc2ccc3ccccc3c2C1=OMolecular Processing
Molecular formula
C17H16O3
Molecular weight
268.31
Exact mass
268.1099
XLogP
3.45
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
76.96
Supplementary Information
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