SMILES:
CC(=O)c1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCN1CCC(C)CC1Molecular Processing
Molecular formula
C29H29ClN2O2
Molecular weight
473.02
Exact mass
472.1918
XLogP
6.12
TPSA
42.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
137.44
Supplementary Information
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