名称: 5-amino-2-[4-(4-chlorophenyl)piperazin-1-yl]benzonitrile
SMILES:
N#Cc1cc(N)ccc1N1CCN(c2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C17H17ClN4
Molecular weight
312.8
Exact mass
312.1142
XLogP
3.12
TPSA
56.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.45
Supplementary Information
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