Cc1cc(C)n2nc(NCCOc3ccc(Cl)cc3)nc2n1
SMILES: Cc1cc(C)n2nc(NCCOc3ccc(Cl)cc3)nc2n1

Molecular Processing

Molecular formula
C15H16ClN5O
Molecular weight
317.78
Exact mass
317.1043
XLogP
2.89
TPSA
64.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
85.69

Supplementary Information

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