SMILES:
Nc1nc2ccccc2c2c1nc(CCl)n2CC1(O)CCC1Molecular Processing
Molecular formula
C16H17ClN4O
Molecular weight
316.79
Exact mass
316.1091
XLogP
2.82
TPSA
76.96
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.8
Supplementary Information
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