COc1cc(C)cc(-c2ccc(C(=O)O)c3nccnc23)c1C
SMILES: COc1cc(C)cc(-c2ccc(C(=O)O)c3nccnc23)c1C

Molecular Processing

Molecular formula
C18H16N2O3
Molecular weight
308.34
Exact mass
308.1161
XLogP
3.62
TPSA
72.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
87.96

Supplementary Information

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