COc1ccccc1N1CCN(CCCCl)CC1
Name: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine
SMILES: COc1ccccc1N1CCN(CCCCl)CC1

Molecular Processing

Molecular formula
C14H21ClN2O
Molecular weight
268.79
Exact mass
268.1342
XLogP
2.45
TPSA
15.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
76.98

Supplementary Information

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