SMILES:
NC1C2CC3CC1CC(Oc1cc4ccnc(OCc5ccccc5)c4cc1Cl)(C3)C2Molecular Processing
Molecular formula
C26H27ClN2O2
Molecular weight
434.97
Exact mass
434.1761
XLogP
5.75
TPSA
57.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
122.42
Supplementary Information
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