이름: 1-(β-Chloropropionyl)-4-phenylpiperazine
SMILES:
O=C(CCCl)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C13H17ClN2O
Molecular weight
252.75
Exact mass
252.1029
XLogP
1.96
TPSA
23.55
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
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
0.462
Molar refractivity
70.57
Supplementary Information
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