SMILES:
CCCCC12CCC(=O)C(C#N)=C1c1ccc(O)c(Cl)c1C2Molecular Processing
Molecular formula
C18H18ClNO2
Molecular weight
315.8
Exact mass
315.1026
XLogP
4.42
TPSA
61.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
85.55
Supplementary Information
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