O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1
이름: intermediate 2
SMILES: O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1

Molecular Processing

Molecular formula
C24H29Cl2N3O2
Molecular weight
462.42
Exact mass
461.1637
XLogP
5.25
TPSA
44.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
127.85

Supplementary Information

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