C[C@@H](Nc1cc(N2CCC(N3CCC(N)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl
名称: 1-(1-(4-chloro-3-((R)-1-(2,4-dichlorophenyl)ethylamino)phenyl)piperidin-4-yl)pyrrolidin-3-amine
SMILES: C[C@@H](Nc1cc(N2CCC(N3CCC(N)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl

Molecular Processing

Molecular formula
C23H29Cl3N4
Molecular weight
467.87
Exact mass
466.1458
XLogP
5.82
TPSA
44.53
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
129.35

Supplementary Information

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