SMILES:
C=CCC1(C)CC(c2cncc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CO)C1=OMolecular Processing
Molecular formula
C24H28Cl2N2O2
Molecular weight
447.41
Exact mass
446.1528
XLogP
5.8
TPSA
53.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
121.73
Supplementary Information
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