名称: [5-(3,4-dichloro-benzenesulfonyl)-5,6-dihydro-phenanthridin-6-yl]-acetic acid
SMILES:
O=C(O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C21H15Cl2NO4S
Molecular weight
448.33
Exact mass
447.0099
XLogP
5.39
TPSA
74.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
113
Supplementary Information
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