SMILES:
C#CCN1CCN(C2Cc3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1Molecular Processing
Molecular formula
C21H20Cl2N2O
Molecular weight
387.31
Exact mass
386.0953
XLogP
4.63
TPSA
15.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.27
Supplementary Information
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