SMILES:
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(-c2ccccc2)c1Molecular Processing
Molecular formula
C21H20Cl2O2
Molecular weight
375.3
Exact mass
374.084
XLogP
5.99
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
102.22
Supplementary Information
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