이름: 1-(4-(3-bromocinnamoylamino)benzyl)piperidine
SMILES:
O=C(C=Cc1cccc(Br)c1)Nc1ccc(CN2CCCCC2)cc1Molecular Processing
Molecular formula
C21H23BrN2O
Molecular weight
399.33
Exact mass
398.0994
XLogP
5.09
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
107.38
Supplementary Information
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