SMILES:
Clc1nc(OC[C@H]2CCCN2)ccc1-c1ccccc1Molecular Processing
Molecular formula
C16H17ClN2O
Molecular weight
288.78
Exact mass
288.1029
XLogP
3.53
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
81.2
Supplementary Information
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