Название: acid ( 117 )
SMILES:
O=C(O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=OMolecular Processing
Molecular formula
C23H15ClN2O5
Molecular weight
434.84
Exact mass
434.0669
XLogP
4.18
TPSA
108.63
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
115.6
Supplementary Information
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