SMILES:
CN1C(=O)c2c(ncn2Cc2ccc(Cl)cc2)N2C1=NC1CCCC12Molecular Processing
Molecular formula
C18H18ClN5O
Molecular weight
355.83
Exact mass
355.12
XLogP
2.77
TPSA
53.73
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
96.22
Supplementary Information
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