SMILES:
CC1(C)CC(Nc2nc(Cl)ncc2C(N)=O)CC2CCCN21Molecular Processing
Molecular formula
C15H22ClN5O
Molecular weight
323.83
Exact mass
323.1513
XLogP
2.05
TPSA
84.14
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
86.01
Supplementary Information
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