SMILES:
COc1ccccc1C1CC(=NNC(=N)N)c2c(C)ccnc2C1Molecular Processing
Molecular formula
C18H21N5O
Molecular weight
323.4
Exact mass
323.1746
XLogP
2.32
TPSA
96.38
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
94.62
Supplementary Information
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