CCCCC(=O)c1c(-c2ccc3cc(OC)ccc3c2)oc2ccc(Cl)cc12
SMILES: CCCCC(=O)c1c(-c2ccc3cc(OC)ccc3c2)oc2ccc(Cl)cc12

Molecular Processing

Molecular formula
C24H21ClO3
Molecular weight
392.88
Exact mass
392.1179
XLogP
7.29
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
114.57

Supplementary Information

Details werden geladen…

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