이름: 1-[4-chloro-2-benzoylphenyl]-3-phthalimidopropyne
SMILES:
O=C(c1ccccc1)c1cc(Cl)ccc1C#CCN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C24H14ClNO3
Molecular weight
399.83
Exact mass
399.0662
XLogP
4.22
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.042
Molar refractivity
110.01
Supplementary Information
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