SMILES:
OC1(Cn2c(CCl)nc3cnc4ccccc4c32)CCC1Molecular Processing
Molecular formula
C16H16ClN3O
Molecular weight
301.78
Exact mass
301.0982
XLogP
3.24
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
83.39
Supplementary Information
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