SMILES:
CC1(C)CC(c2cccc(NC3(C(=O)O)CC3)c2)Nc2ccc(Cl)cc21Molecular Processing
Molecular formula
C21H23ClN2O2
Molecular weight
370.88
Exact mass
370.1448
XLogP
5.2
TPSA
61.36
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
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
0.381
Molar refractivity
105.12
Supplementary Information
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