이름: product
SMILES:
O=C(Cl)C1CCN(Cc2ccccc2)CC1c1ccsc1Molecular Processing
Molecular formula
C17H18ClNOS
Molecular weight
319.86
Exact mass
319.0798
XLogP
4.12
TPSA
20.31
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
87.75
Supplementary Information
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