SMILES:
COc1cc2c(cc1F)CCNC2C1(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C19H19ClFNO
Molecular weight
331.82
Exact mass
331.1139
XLogP
4.41
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
89.76
Supplementary Information
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