Name: 5-[(4-methoxyphenyl)sulfonyl]-6-methyl-5,6-dihydrophenanthridine
SMILES:
COc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C2C)cc1Molecular Processing
Molecular formula
C21H19NO3S
Molecular weight
365.45
Exact mass
365.1086
XLogP
4.63
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
102.95
Supplementary Information
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