SMILES:
COC(=O)CCC(CCCCCl)c1cccc(-c2cccnc2)c1Molecular Processing
Molecular formula
C20H24ClNO2
Molecular weight
345.87
Exact mass
345.1496
XLogP
5.19
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
98.24
Supplementary Information
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