SMILES:
N#CCC1(c2ccc(Cl)cc2)CCCCC1=OMolecular Processing
Molecular formula
C14H14ClNO
Molecular weight
247.72
Exact mass
247.0764
XLogP
3.63
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
66.84
Supplementary Information
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