이름: product
SMILES:
CC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1Molecular Processing
Molecular formula
C29H32ClN3O
Molecular weight
474.05
Exact mass
473.2234
XLogP
6.53
TPSA
51.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
141.22
Supplementary Information
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