Cl.N#Cc1cncc2cccc(O[C@H]3CC[C@H](NCCO)CC3)c12
SMILES: Cl.N#Cc1cncc2cccc(O[C@H]3CC[C@H](NCCO)CC3)c12

Molecular Processing

Molecular formula
C18H22ClN3O2
Molecular weight
347.85
Exact mass
347.1401
XLogP
2.8
TPSA
78.17
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
95.47

Supplementary Information

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