SMILES:
CC1CN2c3nc(Cl)ncc3N(CC3CC3)C(=O)C2(C)CO1Molecular Processing
Molecular formula
C15H19ClN4O2
Molecular weight
322.8
Exact mass
322.1197
XLogP
1.87
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
83.28
Supplementary Information
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