CC1(C)C(C=C(Cl)Cl)C1C(=N)OCc1cccc(Oc2ccccc2)c1
SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=N)OCc1cccc(Oc2ccccc2)c1

Molecular Processing

Molecular formula
C21H21Cl2NO2
Molecular weight
390.31
Exact mass
389.0949
XLogP
6.56
TPSA
42.31
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
106.02

Supplementary Information

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