الاسم: 1-[[[4-(4-propylpiperazin-1-yl)phenyl]carbonyl]amino]cyclohexanecarboxylic acid hydrochloride
SMILES:
CCCN1CCN(c2ccc(C(=O)NC3(C(=O)O)CCCCC3)cc2)CC1.ClMolecular Processing
Molecular formula
C21H32ClN3O3
Molecular weight
409.96
Exact mass
409.2132
XLogP
3.16
TPSA
72.88
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.619
Molar refractivity
113.55
Supplementary Information
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