Nombre: nitrile
SMILES:
N#CCCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=OMolecular Processing
Molecular formula
C23H14ClN3O3
Molecular weight
415.84
Exact mass
415.0724
XLogP
4.62
TPSA
95.12
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
113.58
Supplementary Information
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