이름: 2-(Aminomethyl)-1-(4-(3,4-dichlorophenyl)piperazin-1-yl)-3-phenylpropan-1-one
SMILES:
NCC(Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1Molecular Processing
Molecular formula
C20H23Cl2N3O
Molecular weight
392.33
Exact mass
391.1218
XLogP
3.46
TPSA
49.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
107.95
Supplementary Information
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