SMILES:
COc1cc(C#N)c(N=C(C)N(C)C)cc1OCMolecular Processing
Molecular formula
C13H17N3O2
Molecular weight
247.3
Exact mass
247.1321
XLogP
2.19
TPSA
57.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
70.72
Supplementary Information
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